UCSF

ZINC41079916

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 18 Yes

Popular Name: methyl 3-amino-4-(azepan-1-yl)benzoate methyl 3-amino-4-(azepan-1-yl)be…

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Other Names:

MFCD13343705

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.04 7.12 -4.78 2 4 0 56 248.326 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )