In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 18 | 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) | 1.24 | 4.77 | -7.53 | 0 | 4 | 0 | 30 | 243.31 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 7.04 | -41.84 | 1 | 4 | 1 | 31 | 244.318 | 3 | ↓ |