In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2010 | 18 | 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) | 1.86 | 8.68 | -40.52 | 1 | 4 | 1 | 44 | 245.35 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 6.74 | -5.05 | 0 | 4 | 0 | 43 | 244.342 | 3 | ↓ |