In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 34 | 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) | 4.25 | 12.53 | -44.44 | 0 | 6 | -1 | 79 | 456.518 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 11.4 | -19.16 | 1 | 6 | 0 | 76 | 457.526 | 7 | ↓ |