UCSF

ZINC08762090

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid 1-[(4-{2-[(E)-1,3-benzodioxol-5-…

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CAS Number: 860612-06-2

Other Names:

MFCD04124199

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) 3.87 -4.45 -57.88 1 12 -1 166 475.459 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 279 - 280 KeyOrganics

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

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