In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2009 | 31 | 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) | 3.61 | 9.85 | -52.2 | 2 | 6 | 0 | 85 | 442.943 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 8.72 | -51.64 | 3 | 6 | 1 | 82 | 443.951 | 9 | ↓ |