| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 15 | Yes |
Popular Name: 4-Trifluoromethyl-5,6,7,8-tetrahydroquinazolin-2-ol 4-Trifluoromethyl-5,6,7,8-tetrah…
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CAS Number: 318258-14-9
| 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) | 2.18 | 2.64 | -14.59 | 1 | 3 | 0 | 46 | 218.178 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 1.56 | -43.42 | 0 | 3 | -1 | 49 | 217.17 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 2.55 | -10 | 1 | 3 | 0 | 46 | 218.178 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 206-207° | Oakwood Chemical |
No pre-computed analogs available. Try a structural similarity search.