UCSF

ZINC04998670

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 16 Yes

Popular Name: 4-(3-Chloro-6-methoxyphenyl)-4-oxobutyric acid 4-(3-Chloro-6-methoxyphenyl)-4-o…

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CAS Numbers: 63213-94-5 , N/A

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) 1.91 6.59 -50.15 0 4 -1 66 241.65 5 ↓

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