UCSF

ZINC37326984

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

Popular Name: 3-methyl-1-(4-nitrophenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-methyl-1-(4-nitrophenyl)thieno…

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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) 2.72 9.08 -45.87 0 7 -1 104 302.291 3 ↓

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Rings

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

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