In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2010 | 21 | 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) | 3.50 | 9.39 | -40.2 | 2 | 3 | 1 | 33 | 288.459 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 9.86 | -95.78 | 3 | 3 | 2 | 34 | 289.467 | 4 | ↓ |