UCSF

ZINC01404028

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 Yes

Popular Name: N-(4-methylbenzyl)-1H-pyrrole-2-carboxamide N-(4-methylbenzyl)-1H-pyrrole-2-…

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CAS Number: 478249-66-0

Other Names:

MFCD02571528

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) 2.13 5.09 -9.41 2 3 0 45 214.268 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 138 - 140 KeyOrganics

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