In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 17 | 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) | 2.19 | 5 | -44.14 | 3 | 4 | 1 | 54 | 237.323 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 6 | -77.06 | 2 | 4 | 0 | 57 | 236.315 | 6 | ↓ |