In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 31st, 2008 | 31 | 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) | 3.45 | 12.11 | -17.53 | 1 | 8 | 0 | 86 | 418.453 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 12.54 | -45.08 | 2 | 8 | 1 | 87 | 419.461 | 4 | ↓ |