| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 14 | Yes |
Popular Name: (S)-1-amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride (S)-1-amino-3-methyl-4,5-dihydro…
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CAS Numbers: 1219381-51-7 , 253324-91-3 , 253324-92-4 , 425663-71-4
(1S)-1-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one
(S)-1-Amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-onehydrochloride
1-amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
1-Amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride
2H-3-Benzazepin-2-one,1-amino-1,3,4,5-tetrahydro-3-methyl-,(1S)-
| 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) | -1.23 | 3.03 | -7.98 | 2 | 3 | 0 | 46 | 190.246 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 3.09 | -39.02 | 3 | 3 | 1 | 48 | 191.254 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.