In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2010 | 15 | 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) | 1.69 | 5.58 | -43.6 | 2 | 4 | 1 | 46 | 228.341 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 4.96 | -35.67 | 1 | 4 | 0 | 53 | 227.333 | 5 | ↓ |