| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 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) | 3.73 | 9.98 | -77.74 | 2 | 6 | 0 | 94 | 402.516 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 8.77 | -54 | 1 | 6 | -1 | 90 | 401.508 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 8 | -53.64 | 3 | 6 | 1 | 91 | 403.524 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Analgesic | IBScreen Bioactives |
| biological_use | Anticonvulsant | IBScreen Bioactives |
| biological_use | Antidepressant | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Anxiolytic | IBScreen Bioactives |
| biological_use | Effective for asthma treatment | IBScreen Bioactives |
| biological_use | Neuroprotective | IBScreen Bioactives |
| mechanism | Selective serotonin 5-HT reuptake enhancer | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.
