UCSF

ZINC01901153

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 33 No

Popular Name: 3-nitrobenzoic-acid-[(2Z)-3-keto-2-veratrylidene-coumaran-6-yl]-ester 3-nitrobenzoic-acid-[(2Z)-3-keto…

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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) 4.66 4.59 -18.57 0 9 0 120 447.399 7 ↓

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