| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 16 | No |
Popular Name: 1-(4-Bromophenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol 1-(4-Bromophenyl)-4,4-dimethyl-1…
Find On: PubMed — Wikipedia — Google
CAS Number: 1142212-11-0
| 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) | -0.12 | 8.73 | -42.27 | 1 | 2 | 1 | 17 | 298.229 | 1 | ↓ |
| Hi High (pH 8-9.5) | -3.03 | 8.47 | -9.27 | 1 | 2 | 0 | 17 | 297.221 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 8.1 | -34.56 | 0 | 2 | 0 | 15 | 297.221 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.