In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 30 | Yes |
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) | 4.75 | 11.37 | -32.08 | 1 | 4 | 1 | 34 | 407.488 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 13.77 | -87.69 | 2 | 4 | 2 | 35 | 408.496 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 11.08 | -13.39 | 0 | 4 | 0 | 32 | 406.48 | 4 | ↓ |