In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 17 | 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) | 1.46 | 4.47 | -50.93 | 3 | 3 | 1 | 44 | 228.319 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.46 | 4.9 | -88.46 | 4 | 3 | 2 | 45 | 229.327 | 1 | ↓ |