UCSF

ZINC32005611

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 Yes

Popular Name: 3-Isobutylaniline 3-Isobutylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 131826-11-4 , N/A , [131826-11-4]

Other Names:

MFCD11934360

NA

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) 2.29 5 -3.32 2 1 0 26 149.237 2 ↓

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