In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.06 | 3.64 | -42.36 | 3 | 3 | 1 | 40 | 241.399 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 5.52 | -125.22 | 4 | 3 | 2 | 41 | 242.407 | 4 | ↓ |