In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 29 | No |
Popular Name: ethyl ethyl
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) | 4.34 | 1.81 | -12.52 | 1 | 6 | 0 | 88 | 410.495 | 7 | ↓ |
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) | 4.72 | 11.4 | -12.36 | 1 | 6 | 0 | 88 | 424.522 | 8 | ↓ |
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) | 4.20 | 1.83 | -12.74 | 1 | 6 | 0 | 88 | 410.495 | 8 | ↓ |
Popular Name: ethyl ethyl
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) | 5.86 | 13.38 | -12.02 | 1 | 6 | 0 | 88 | 466.603 | 10 | ↓ |
Popular Name: ethyl ethyl
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) | 6.41 | 15.03 | -14.25 | 1 | 6 | 0 | 88 | 500.62 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.60 | 13.49 | -48.71 | 0 | 6 | -1 | 95 | 499.612 | 9 | ↓ |
Popular Name: ethyl ethyl
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) | 6.41 | 15.03 | -14.17 | 1 | 6 | 0 | 88 | 500.62 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.60 | 13.49 | -48.64 | 0 | 6 | -1 | 95 | 499.612 | 9 | ↓ |
Popular Name: ethyl ethyl
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) | 6.92 | 15.69 | -14.25 | 1 | 6 | 0 | 88 | 514.647 | 10 | ↓ |
Hi High (pH 8-9.5) | 7.10 | 14.15 | -48.68 | 0 | 6 | -1 | 95 | 513.639 | 10 | ↓ |
Popular Name: ethyl ethyl
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) | 6.92 | 15.69 | -14.29 | 1 | 6 | 0 | 88 | 514.647 | 10 | ↓ |
Hi High (pH 8-9.5) | 7.10 | 14.16 | -48.68 | 0 | 6 | -1 | 95 | 513.639 | 10 | ↓ |