In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 38 | 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) | 6.17 | 15.09 | -42.46 | 1 | 9 | 1 | 96 | 515.59 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 13.99 | -23.39 | 0 | 9 | 0 | 95 | 514.582 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 14.65 | -59.07 | 1 | 9 | 1 | 96 | 515.59 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 15.75 | -91.54 | 2 | 9 | 2 | 97 | 516.598 | 8 | ↓ |