In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 11 | 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) | -0.09 | 3.38 | -86.67 | 5 | 3 | 2 | 58 | 155.245 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.09 | 2.92 | -45.48 | 4 | 3 | 1 | 56 | 154.237 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.09 | 2.92 | -48.85 | 4 | 3 | 1 | 56 | 154.237 | 4 | ↓ |