UCSF

ZINC36225935

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 No

Popular Name: 3-ISOBUTOXY-4-NITROBENZOIC ACID 3-ISOBUTOXY-4-NITROBENZOIC ACID

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CAS Number: 859034-50-7

Other Names:

MFCD14543051

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) 2.91 8.22 -38.87 0 6 -1 95 238.219 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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