In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 20 | 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) | 0.82 | 4.95 | -12.92 | 1 | 7 | 0 | 86 | 271.28 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.82 | 5.42 | -45.17 | 2 | 7 | 1 | 87 | 272.288 | 2 | ↓ |