In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 20 | 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) | 3.45 | 6.81 | -8.81 | 1 | 3 | 0 | 46 | 276.217 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 4.99 | -41.39 | 0 | 3 | -1 | 49 | 275.209 | 1 | ↓ |