In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | No |
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) | 5.68 | 13.07 | -13.14 | 0 | 6 | 0 | 57 | 494.591 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 15.95 | -56.95 | 1 | 6 | 1 | 58 | 495.599 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.