In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 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) | 4.02 | 8.75 | -13.05 | 2 | 5 | 0 | 101 | 427.458 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.02 | 11.1 | -57.03 | 3 | 5 | 1 | 102 | 428.466 | 3 | ↓ |