In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 32 | 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) | 2.36 | 7.36 | -14.9 | 0 | 7 | 0 | 60 | 446.519 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 9.65 | -49.23 | 1 | 7 | 1 | 62 | 447.527 | 10 | ↓ |