UCSF

ZINC54697757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 Yes

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

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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) -1.77 3.51 -41.46 4 6 1 87 235.315 4 ↓
Mid Mid (pH 6-8) -1.77 3.21 -10.15 3 6 0 85 234.307 4 ↓
Mid Mid (pH 6-8) -1.77 3.77 -40.35 4 6 1 87 235.315 4 ↓
Lo Low (pH 4.5-6) -1.77 4.06 -115.05 5 6 2 88 236.323 4 ↓

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

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