In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | 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) | 1.21 | 5.41 | -44.37 | 3 | 4 | 1 | 54 | 221.328 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 5.8 | -80.86 | 4 | 4 | 2 | 56 | 222.336 | 4 | ↓ |