| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2008 | 23 | Yes |
Popular Name: 4-[3-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid 4-[3-(1-Azepanylcarbonyl)anilino…
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CAS Numbers: , 1003688-34-3 , [1003688-34-3]
4-[3-(1-azepanylcarbonyl)anilino]-4-oxobutanoicacid
4-{[3-(1-azepanylcarbonyl)phenyl]amino}-4-oxobutanoic acid
AZEPANYLCARBONYLANILINOOXOBUTANOICACI
butanoic acid, 4-[[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]amino]-4-oxo-
| 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) | 1.26 | 6.78 | -59.63 | 1 | 6 | -1 | 90 | 317.365 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
