In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 11 | 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) | -0.08 | 3.31 | -35.94 | 2 | 3 | 1 | 40 | 156.253 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.08 | 0.84 | -6.02 | 1 | 3 | 0 | 39 | 155.245 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.08 | 4.51 | -112.55 | 3 | 3 | 2 | 45 | 157.261 | 5 | ↓ |