UCSF

ZINC69131632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 25 Yes

Popular Name: [1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone [1-(4-fluorophenyl)-3-methyl-thi…

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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) 2.68 7.06 -9.69 0 5 0 41 358.442 2 ↓
Mid Mid (pH 6-8) 2.68 9.42 -50.55 1 5 1 43 359.45 2 ↓

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

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