In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 15 | 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) | 3.52 | 5.78 | -8.14 | 1 | 3 | 0 | 46 | 205.257 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 3.15 | -47.68 | 0 | 3 | -1 | 49 | 204.249 | 4 | ↓ |