In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 17 | 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) | 2.25 | 7.34 | -42.92 | 2 | 3 | 1 | 33 | 230.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 7.9 | -90.11 | 3 | 3 | 2 | 34 | 231.343 | 4 | ↓ |