In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 14 | 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) | 1.54 | 4.07 | -32.79 | 3 | 3 | 1 | 57 | 187.222 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 3.65 | -8.21 | 2 | 3 | 0 | 56 | 186.214 | 1 | ↓ |