In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2009 | 23 | 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) | 2.57 | 3.73 | -9.64 | 2 | 4 | 0 | 56 | 312.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 6.02 | -47.81 | 3 | 4 | 1 | 57 | 313.421 | 5 | ↓ |