In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 14 | 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) | 0.59 | 2.48 | -86.95 | 4 | 3 | 2 | 36 | 199.342 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 4.73 | -199.96 | 5 | 3 | 3 | 38 | 200.35 | 3 | ↓ |