In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 31 | 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) | 0.65 | 13.45 | -75.83 | 0 | 7 | -1 | 86 | 428.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 11.41 | -23.5 | 1 | 7 | 0 | 83 | 429.492 | 6 | ↓ |
Lo Low (pH 4.5-6) | -2.10 | 10.31 | -37.23 | 1 | 7 | 0 | 89 | 429.492 | 5 | ↓ |