In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 34 | 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) | 5.79 | 11.94 | -56.72 | 0 | 6 | -1 | 79 | 505.418 | 11 | ↓ |
Mid Mid (pH 6-8) | 6.23 | 11.15 | -10.5 | 1 | 6 | 0 | 76 | 506.426 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 12.17 | -12.39 | 0 | 6 | 0 | 73 | 506.426 | 11 | ↓ |