UCSF

ZINC64540593

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 25 No

Popular Name: (1Z)-N-(3-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboximidothioic (1Z)-N-(3-fluorophenyl)-4-(4-nit…

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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) -0.26 10.94 -16.26 1 6 0 64 360.414 4 ↓
Hi High (pH 8-9.5) 3.96 10.82 -41.3 0 6 -1 65 359.406 4 ↓

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

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