UCSF

ZINC29054856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 18 Yes

Popular Name: DL-1-(alpha,p-Dimethylbenzyl)imidazole-5-carboxylic acid methyl ester hydrochloride; Imidazole-5-carboxylic acid, 1-(alpha,p-dimethylbenzyl)-, methyl ester, hydrochloride, DL-; LS-78220 DL-1-(alpha,p-Dimethylbenzyl)imi…

Find On: PubMed — Wikipedia — Google

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) 2.47 8.84 -8.18 0 4 0 44 244.294 4 ↓
Lo Low (pH 4.5-6) 2.47 9.3 -38.91 1 4 1 45 245.302 4 ↓

Activity (Go SEA)

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