| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 17 | Yes |
Popular Name: 3-(4-Oxo-1,4-dihydro-quinazolin-2-ylsulfanyl)-propionic acid 3-(4-Oxo-1,4-dihydro-quinazolin-…
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CAS Number: 313233-21-5
3-(4-oxo-1,4-dihydro-quinazolin-2-ylsulfanyl)-propionicacid
3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoic acid
| 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) | 2.43 | 3.59 | -110.55 | 0 | 5 | -2 | 89 | 248.263 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 4.97 | -59.95 | 1 | 5 | -1 | 86 | 249.271 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 5.52 | -45.53 | 1 | 5 | -1 | 86 | 249.271 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
