In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 29 | 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) | 2.57 | 6.57 | -97.82 | 0 | 8 | -2 | 124 | 457.236 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 9.1 | -51.41 | 1 | 8 | -1 | 121 | 458.244 | 5 | ↓ |