In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2007 | 13 | 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) | 0.17 | 1.69 | -45.64 | 3 | 3 | 1 | 50 | 181.259 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.17 | 1.97 | -104.72 | 4 | 3 | 2 | 51 | 182.267 | 6 | ↓ |