UCSF

ZINC01382063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Popular Name: 8-chloro-3-(1H-pyrrol-1-yl)-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-(1H-pyrrol-1-yl)-6-(t…

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CAS Number: 338773-77-6

Other Names:

MFCD00974665

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) 3.22 5.46 -7.9 0 4 0 35 286.644 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 - 159 KeyOrganics

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Rings

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

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