In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 32 | No |
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) | 4.37 | 13.5 | -68.1 | 1 | 5 | 0 | 65 | 438.543 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 12.2 | -46.58 | 2 | 5 | 1 | 62 | 439.551 | 9 | ↓ |