| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 18 | No |
Popular Name: 3-[3-mercapto-5-(3-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid 3-[3-mercapto-5-(3-methylphenyl)…
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CAS Number: 847783-62-4
| 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) | 1.50 | 8.12 | -53.3 | 1 | 5 | -1 | 74 | 262.314 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 7.96 | -106.83 | 0 | 5 | -2 | 71 | 261.306 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 16 - 18 | Enamine Building Blocks |
| MP | 16...18 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
