In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | 2.61 | 7.52 | -35.37 | 2 | 4 | 1 | 34 | 253.414 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 5.36 | -4.03 | 1 | 4 | 0 | 33 | 252.406 | 9 | ↓ |