UCSF

ZINC48630516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 14 Yes

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

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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) -2.89 1.12 -35.4 4 6 0 96 192.226 3 ↓
Hi High (pH 8-9.5) -2.89 0.97 -12.39 4 6 0 96 192.226 3 ↓
Hi High (pH 8-9.5) -2.89 1.14 -36.13 4 6 0 96 192.226 3 ↓
Mid Mid (pH 6-8) -2.89 1.13 -36.13 4 6 0 96 192.226 3 ↓
Mid Mid (pH 6-8) -2.89 1.43 -52.66 5 6 1 98 193.234 3 ↓
Mid Mid (pH 6-8) -2.89 1.44 -48.11 5 6 1 98 193.234 3 ↓
Mid Mid (pH 6-8) -2.89 1.25 -41.24 5 6 1 98 193.234 3 ↓
Lo Low (pH 4.5-6) -2.89 1.99 -117.89 6 6 2 99 194.242 3 ↓
Lo Low (pH 4.5-6) -2.89 1.82 -102.44 6 6 2 99 194.242 3 ↓

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

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