In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2009 | 38 | 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) | 3.67 | 12.67 | -16.99 | 0 | 7 | 0 | 62 | 535.71 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 14.94 | -61.6 | 1 | 7 | 1 | 64 | 536.718 | 12 | ↓ |