In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 11th, 2008 | 27 | No |
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) | 3.57 | 7.94 | -65.01 | 0 | 10 | -1 | 138 | 371.329 | 5 | ↓ |
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) | 1.91 | 6.43 | -87.15 | 1 | 7 | 0 | 94 | 265.269 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 3.96 | -55.76 | 0 | 7 | -1 | 92 | 264.261 | 3 | ↓ |
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) | 2.29 | 7.01 | -85.93 | 1 | 7 | 0 | 94 | 279.296 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 4.63 | -55.6 | 0 | 7 | -1 | 92 | 278.288 | 4 | ↓ |