In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 5.20 | 8.98 | -9.59 | 0 | 5 | 0 | 56 | 472.85 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 9.71 | -41.2 | 1 | 5 | 1 | 57 | 473.858 | 4 | ↓ |