| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 21 | Yes |
Popular Name: Isotrimethoprim Isotrimethoprim
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61550-88-7 , 8064-90-2
| 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) | 1.47 | 4.61 | -40.63 | 5 | 7 | 1 | 107 | 291.331 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 4.19 | -13.19 | 4 | 7 | 0 | 106 | 290.323 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Selective non-nucleoside reverse transcriptase inhibitor | ZereneX Building Blocks |
| biological_use | Antimicrobial, antiseptic and antiviral activity | ZereneX Building Blocks |
| biological_use | Antiseptic | IBScreen Bioactives |
| mechanism | Dihydrofolate reductase inhibitor | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.