| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 22 | No |
Popular Name: Tegaserod maleate Tegaserod maleate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 189188-57-6 , [189188-57-6]
| 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) | 2.98 | 7.8 | -31.32 | 5 | 6 | 1 | 89 | 302.402 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 7.81 | -9.51 | 4 | 6 | 0 | 88 | 301.394 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 7.83 | -10.01 | 4 | 6 | 0 | 88 | 301.394 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | Irritable Bowel Syndrome, constipation | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01187t; 1 maleic acid | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01187t; SALT: 1 maleic acid | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.