In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 20th, 2006 | 28 | 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) | 2.83 | -4.63 | -20.99 | 1 | 7 | 0 | 82 | 417.512 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.83 | -4.06 | -60.33 | 0 | 7 | -1 | 84 | 416.504 | 6 | ↓ |