In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 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) | 2.59 | 6.79 | -31.84 | 1 | 3 | 1 | 17 | 249.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 4.58 | -4.15 | 0 | 3 | 0 | 16 | 248.37 | 5 | ↓ |