In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 21 | 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) | 1.12 | 5.22 | -44.69 | 2 | 5 | 1 | 54 | 293.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 2.75 | -12.74 | 1 | 5 | 0 | 53 | 292.379 | 6 | ↓ |