UCSF

ZINC14009397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 No

Popular Name: 4-({5-[(4-chlorophenyl)sulfanyl]thien-2-yl}methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 4-({5-[(4-chlorophenyl)sulfanyl]…

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Other Names:

MFCD03697094

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) 5.69 12.8 -12.68 0 3 0 35 410.951 4 ↓
Ref Reference (pH 7) 5.69 13.31 -15.84 0 3 0 35 410.951 4 ↓

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

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