In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 40 | No |
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) | 4.13 | 0.13 | -23.08 | 1 | 12 | 0 | 158 | 553.568 | 14 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 0.21 | -21.5 | 1 | 12 | 0 | 158 | 553.568 | 14 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 1.42 | -25.79 | 1 | 12 | 0 | 158 | 553.568 | 14 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 0.13 | -22.45 | 1 | 12 | 0 | 158 | 553.568 | 14 | ↓ |