UCSF

ZINC20362222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 Yes

Popular Name: 4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenol 4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4…

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CAS Number: 1039843-59-8

Other Names:

MFCD11183413

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) 1.51 4.67 -16.48 1 4 0 51 201.229 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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