| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 23 | No |
Popular Name: 3-(2-chlorobenzyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(2-chlorobenzyl)-2-mercapto-4-…
Find On: PubMed — Wikipedia — Google
CAS Number: 361150-31-4
| 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) | 3.88 | 9.52 | -91.71 | 0 | 5 | -2 | 75 | 344.779 | 3 | ↓ |
| Ref Reference (pH 7) | 3.61 | 8.46 | -91.45 | 0 | 5 | -2 | 81 | 344.779 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 9.81 | -40.62 | 1 | 5 | -1 | 78 | 345.787 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 398 - 400 | Enamine Building Blocks |
| MP | 398...400 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
