In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 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) | -0.55 | 2.3 | -107.05 | 5 | 4 | 2 | 64 | 201.314 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.55 | 0.97 | -38.11 | 4 | 4 | 1 | 60 | 200.306 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.55 | -0.16 | -44.54 | 4 | 4 | 1 | 63 | 200.306 | 7 | ↓ |