UCSF

ZINC54698980

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-2-(1H-imidazol-4-yl)-1-(5-isobutyl-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) -1.51 4.34 -41.64 4 6 1 87 249.342 5 ↓
Mid Mid (pH 6-8) -1.51 4.53 -43.7 4 6 1 87 249.342 5 ↓
Mid Mid (pH 6-8) -1.51 4.04 -9.7 3 6 0 85 248.334 5 ↓
Lo Low (pH 4.5-6) -1.51 4.83 -114.94 5 6 2 88 250.35 5 ↓

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

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