In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 12 | 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) | -1.72 | 0.14 | -78.64 | 4 | 5 | 0 | 97 | 174.2 | 6 | ↓ |
Lo Low (pH 4.5-6) | -1.72 | -1.83 | -51.39 | 5 | 5 | 1 | 94 | 175.208 | 6 | ↓ |