In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 36 | 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) | 5.54 | 14.46 | -88.36 | 2 | 9 | 2 | 97 | 515.01 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 12.7 | -21.82 | 0 | 9 | 0 | 95 | 512.994 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 13.8 | -40.79 | 1 | 9 | 1 | 96 | 514.002 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 13.36 | -56.24 | 1 | 9 | 1 | 96 | 514.002 | 9 | ↓ |