UCSF

ZINC54698678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 18 Yes

Popular Name: (1S)-1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1S)-1-(5-tert-butyl-2-methyl-1,…

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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) -1.10 4.06 -41.68 4 6 1 87 249.342 4 ↓
Mid Mid (pH 6-8) -1.10 3.75 -10.1 3 6 0 85 248.334 4 ↓
Mid Mid (pH 6-8) -1.10 4.32 -40.07 4 6 1 87 249.342 4 ↓
Lo Low (pH 4.5-6) -1.10 4.61 -115.47 5 6 2 88 250.35 4 ↓

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

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