In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2010 | 19 | 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) | 0.50 | 2.28 | -10.65 | 0 | 5 | 0 | 54 | 279.365 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 4.5 | -49.76 | 1 | 5 | 1 | 55 | 280.373 | 4 | ↓ |