In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 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) | 3.11 | 4.83 | -11.02 | 1 | 3 | 0 | 47 | 228.247 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 5.62 | -41.81 | 0 | 3 | -1 | 49 | 227.239 | 3 | ↓ |