In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 33 | 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) | 3.81 | 12.99 | -40.39 | 1 | 6 | 1 | 68 | 442.539 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.81 | 13.57 | -102.09 | 2 | 6 | 2 | 69 | 443.547 | 7 | ↓ |