UCSF

ZINC54697008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 Yes

Popular Name: (1R)-1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1R)-1-(5-ethyl-2-methyl-1,2,4-t…

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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) -2.25 3.74 -38.1 4 6 1 87 221.288 4 ↓
Mid Mid (pH 6-8) -2.25 3.13 -10.92 3 6 0 85 220.28 4 ↓
Mid Mid (pH 6-8) -2.25 3.28 -40.79 4 6 1 87 221.288 4 ↓
Lo Low (pH 4.5-6) -2.25 3.55 -114.76 5 6 2 88 222.296 4 ↓

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

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