UCSF

ZINC54822260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 19 Yes

Popular Name: 1-(2-methyl-1H-imidazol-4-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(2-methyl-1H-imidazol-4-yl)-N-…

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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) 1.27 3.68 -44.64 3 4 1 49 277.314 6 ↓
Hi High (pH 8-9.5) 1.27 2.33 -9.34 2 4 0 44 276.306 6 ↓
Lo Low (pH 4.5-6) 1.27 4.12 -111.09 4 4 2 50 278.322 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.