In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2013 | 63 | No |
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) | 10.51 | 38.94 | -7.42 | 0 | 4 | 0 | 53 | 863.365 | 31 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
biological_use | Cardiovascular agent | IBScreen Bioactives IBScreen Bioactives |
mechanism | Electron transport chain regulator | IBScreen Bioactives |
biological_use | used to treat congestive heart failure | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.