| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 5-Methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine 5-Methyl-7-phenyl-4,5,6,7-tetrah…
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CAS Numbers: 133533-72-9 , [133533-72-9]
| 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) | 1.68 | 8.31 | -9.06 | 1 | 4 | 0 | 43 | 214.272 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 9.52 | -104.96 | 3 | 4 | 2 | 49 | 216.288 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 8.55 | -38.95 | 2 | 4 | 1 | 47 | 215.28 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.