In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 31 | Yes |
None
None
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) | 6.33 | 11.71 | -42.38 | 2 | 4 | 1 | 55 | 497.331 | 4 | ↓ |
Hi High (pH 8-9.5) | 6.33 | 12.3 | -23.55 | 1 | 4 | 0 | 58 | 496.323 | 4 | ↓ |