In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 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) | -0.18 | 1.7 | -123.39 | 6 | 4 | 2 | 74 | 226.32 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.18 | 1.31 | -47.51 | 5 | 4 | 1 | 72 | 225.312 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.18 | 1.38 | -47.55 | 5 | 4 | 1 | 72 | 225.312 | 7 | ↓ |