In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 13 | 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) | 1.36 | 3.07 | -7.29 | 4 | 4 | 0 | 67 | 174.207 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 3.08 | -7.38 | 4 | 4 | 0 | 67 | 174.207 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 2.89 | -41.79 | 5 | 4 | 1 | 68 | 175.215 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 2.9 | -52.49 | 5 | 4 | 1 | 68 | 175.215 | 2 | ↓ |