UCSF

ZINC04992584

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 15 Yes

Popular Name: 3-(2,5-Dimethyl-pyrrol-1-yl)-2-methyl-phenylamine 3-(2,5-Dimethyl-pyrrol-1-yl)-2-m…

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CAS Numbers: 842958-59-2 , [842958-59-2]

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) 2.69 1.31 -4.88 2 2 0 31 200.285 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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