| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 18 | No |
Popular Name: 1-(3-Chloro-4-methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol 1-(3-Chloro-4-methoxyphenyl)-4,4…
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CAS Number: 1142213-09-9
| 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) | -0.27 | 7.95 | -45.7 | 1 | 3 | 1 | 26 | 283.804 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.18 | 8.31 | -14.33 | 1 | 3 | 0 | 26 | 282.796 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.27 | 7.33 | -33.28 | 0 | 3 | 0 | 25 | 282.796 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.