In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2010 | 13 | 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) | 2.88 | 7.41 | -47.18 | 0 | 2 | -1 | 40 | 183.271 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 5.55 | -4.38 | 1 | 2 | 0 | 37 | 184.279 | 3 | ↓ |