| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 15 | Yes |
Popular Name: 6-(1-amino-2-methylpropyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride 6-(1-amino-2-methylpropyl)-2,3-d…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1094455-81-8 , 1311315-61-3
| 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) | -0.24 | 2.04 | -58.17 | 4 | 4 | 1 | 74 | 207.253 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | -0.84 | -46.45 | 2 | 4 | -1 | 75 | 205.237 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | -0.59 | -80.88 | 3 | 4 | 0 | 77 | 206.245 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 268 - 270 | Enamine Building Blocks |
| MP | 268...270 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.