In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 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) | 2.32 | 6.24 | -10.22 | 1 | 4 | 0 | 45 | 233.315 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 6.7 | -35.57 | 2 | 4 | 1 | 46 | 234.323 | 1 | ↓ |