In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 30 | 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) | 3.87 | 13.4 | -42.49 | 1 | 5 | 1 | 43 | 399.518 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 14.08 | -99.7 | 2 | 5 | 2 | 44 | 400.526 | 3 | ↓ |