In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 29 | 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) | 3.43 | 8.31 | -61.55 | 0 | 6 | -1 | 79 | 414.865 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 0.03 | -11.12 | 1 | 6 | 0 | 76 | 415.873 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.84 | -0.05 | -18.27 | 0 | 6 | 0 | 72 | 415.873 | 8 | ↓ |