UCSF

ZINC54795036

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Substance Information

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

Popular Name: (1S)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(4-methyl-1H-imidazol-5-…

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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) 0.84 7 -54.37 3 6 1 75 257.321 4 ↓
Mid Mid (pH 6-8) 0.84 5.85 -19.32 2 6 0 71 256.313 4 ↓
Lo Low (pH 4.5-6) 0.84 7.46 -111.53 4 6 2 77 258.329 4 ↓

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

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