UCSF

ZINC01383447

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 Yes

Popular Name: 5-(3-chloro-2-thienyl)-2-[4-(4-fluorophenyl)piperazino]-1H-pyrrole-3-carbonitrile 5-(3-chloro-2-thienyl)-2-[4-(4-f…

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CAS Number: 477845-27-5

Other Names:

MFCD00794200

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) 4.58 -2.17 -9.09 1 4 0 46 386.883 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 144 - 146 KeyOrganics

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Rings

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

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