In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 22 | 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) | 2.87 | 5.57 | -14.15 | 1 | 5 | 0 | 60 | 292.294 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.87 | 5.85 | -41.74 | 2 | 5 | 1 | 62 | 293.302 | 2 | ↓ |