In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 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) | 2.39 | 4.55 | -36.04 | 2 | 3 | 1 | 29 | 241.399 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 6.25 | -106.07 | 3 | 3 | 2 | 30 | 242.407 | 5 | ↓ |