UCSF

ZINC65533166

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2,6-dimethylphenyl 2-chloro-4-nitrobenzoate 2,6-dimethylphenyl 2-chloro-4-ni…

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Other Names:

MFCD01034892

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) 0.18 9.11 -48.23 1 7 0 83 354.41 4 ↓
Hi High (pH 8-9.5) 0.18 6.58 -55.4 0 7 -1 82 353.402 4 ↓

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

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