UCSF

ZINC02170413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 18 No

Popular Name: 3-(4-Chloro-3-nitro-phenyl)-3-oxo-propionic acidethyl ester 3-(4-Chloro-3-nitro-phenyl)-3-ox…

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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) 2.23 3.33 -21.69 0 6 0 89 271.656 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.