UCSF

ZINC65535917

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-{4-chloro-3-nitrophenyl}-4-(2,3,4-trimethoxybenzylidene)-1,3-oxazol-5(4H)-one 2-{4-chloro-3-nitrophenyl}-4-(2,…

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Other Names:

MFCD01053975

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) 0.69 5.58 -41.56 2 8 1 86 359.454 6 ↓
Mid Mid (pH 6-8) 0.69 5.07 -18.09 1 8 0 85 358.446 6 ↓

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

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