In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 24 | 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) | 2.76 | 9.19 | -48.48 | 3 | 3 | 1 | 46 | 320.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 8.79 | -6.51 | 2 | 3 | 0 | 44 | 319.404 | 7 | ↓ |