UCSF

ZINC11920663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 12 Yes

Popular Name: 3-Methyl-2-(1H-pyrrol-1-yl)butanoic acid 3-Methyl-2-(1H-pyrrol-1-yl)butan…

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CAS Numbers: , 61429-10-5 , 61429-10-5; 63751-71-3; 63813-68-3; 66036-32-6 , [61429-10-5]

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) 1.28 6.1 -44.51 0 3 -1 45 166.2 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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