| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 11 | No |
Popular Name: 1,2,3-benzotriazine-4-thiol 1,2,3-benzotriazine-4-thiol
Find On: PubMed — Wikipedia — Google
CAS Number: 2536-88-1
| 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) | 1.91 | 2.9 | -44 | 0 | 3 | -1 | 39 | 162.197 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 3.03 | -29.45 | 1 | 3 | 0 | 42 | 163.205 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 183 - 185 | Enamine Building Blocks |
| MP | 183...185 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
