UCSF

ZINC06645471

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 15 Yes

Popular Name: 3-(4-chlorophenyl)-4-methylpentanoic acid 3-(4-chlorophenyl)-4-methylpenta…

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CAS Number: 126275-16-9

Other Names:

MFCD08282672

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) 1.90 7.48 -44.56 0 2 -1 40 225.695 4 ↓

Activity (Go SEA)

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