In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 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) | 3.85 | 10.27 | -16.72 | 3 | 9 | 0 | 141 | 394.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 10.12 | -92.1 | 2 | 9 | -1 | 144 | 393.379 | 6 | ↓ |