In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2011 | 18 | 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) | 3.09 | 8.12 | -37.36 | 1 | 3 | 1 | 17 | 249.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 6.18 | -4.05 | 0 | 3 | 0 | 16 | 248.37 | 4 | ↓ |