| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 12 | No |
Popular Name: 2-amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 2-amino-3-[(3-methylbut-2-en-1-y…
Find On: PubMed — Wikipedia — Google
CAS Number: 1396966-61-2
| 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) | -0.83 | 3.44 | -37.85 | 3 | 3 | 0 | 68 | 189.28 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.83 | 3.11 | -45.21 | 2 | 3 | -1 | 66 | 188.272 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 189 - 191 | Enamine Building Blocks |
| MP | 189...191 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.