| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 13 | No |
Popular Name: (S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one hydrochloride (S)-3-Amino-1-hydroxy-3,4-dihydr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 177943-33-8 , 34783-48-7 , [177943-33-8]
| 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) | -0.10 | 1.39 | -49.36 | 4 | 4 | 1 | 68 | 179.199 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 2.08 | -58.98 | 2 | 4 | -1 | 69 | 177.183 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 1.02 | -6.89 | 3 | 4 | 0 | 67 | 178.191 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 2.43 | -69.3 | 3 | 4 | 0 | 71 | 178.191 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0641323A1; US5594006; WO1994021612A1 | IBM Patent Data |
