In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 37 | 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) | 3.73 | 12.12 | -60.99 | 2 | 6 | 1 | 57 | 503.711 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.73 | 14.98 | -153.68 | 3 | 6 | 2 | 58 | 504.719 | 8 | ↓ |