In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 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) | 0.17 | 3.61 | -61.95 | 2 | 4 | 0 | 70 | 214.29 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.17 | 2.18 | -50.18 | 1 | 4 | -1 | 65 | 213.282 | 6 | ↓ |