In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 10 | 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) | 0.56 | 2.38 | -40.46 | 4 | 3 | 1 | 56 | 140.21 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.56 | 2.19 | -94.84 | 5 | 3 | 2 | 58 | 141.218 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.56 | 1.69 | -48.18 | 4 | 3 | 1 | 56 | 140.21 | 2 | ↓ |