UCSF

ZINC13426460

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 13 Yes

Popular Name: 2-(2-Isopropyl-imidazol-1-yl)-propionic acid 2-(2-Isopropyl-imidazol-1-yl)-pr…

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CAS Numbers: 1219436-71-1 , 917561-98-9

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) 0.75 6.7 -35.16 1 4 0 59 182.223 3 ↓
Hi High (pH 8-9.5) 0.75 6.07 -43.08 0 4 -1 58 181.215 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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