In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2005 | 24 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.07 | 0.24 | -41.7 | 2 | 4 | 1 | 42 | 325.432 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.89 | 11.6 | -42.92 | 2 | 4 | 1 | 43 | 353.486 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 9.42 | -10.28 | 1 | 4 | 0 | 42 | 352.478 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.04 | 10.52 | -38.19 | 2 | 4 | 1 | 43 | 339.459 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 8.3 | -9.87 | 1 | 4 | 0 | 42 | 338.451 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.04 | 10.44 | -39.28 | 2 | 4 | 1 | 43 | 339.459 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 8.22 | -9.65 | 1 | 4 | 0 | 42 | 338.451 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.48 | 11.13 | -38.77 | 2 | 4 | 1 | 43 | 353.486 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.48 | 8.92 | -9.57 | 1 | 4 | 0 | 42 | 352.478 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.48 | 11.14 | -38.55 | 2 | 4 | 1 | 43 | 353.486 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.48 | 8.94 | -9.85 | 1 | 4 | 0 | 42 | 352.478 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.52 | 10.76 | -41.91 | 2 | 4 | 1 | 43 | 339.459 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.52 | 8.58 | -10.01 | 1 | 4 | 0 | 42 | 338.451 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.38 | 9.38 | -47.99 | 3 | 4 | 1 | 55 | 327.448 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 8.02 | -9.76 | 2 | 4 | 0 | 50 | 326.44 | 9 | ↓ |