UCSF

ZINC48630515

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-2-(1H-imidazol-4-yl)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine (1R)-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 1.17 -38.22 4 6 0 96 192.226 3 ↓
Hi High (pH 8-9.5) -2.89 1.33 -11.02 4 6 0 96 192.226 3 ↓
Hi High (pH 8-9.5) -2.89 1.8 -30.72 4 6 0 96 192.226 3 ↓
Mid Mid (pH 6-8) -2.89 1.8 -30.81 4 6 0 96 192.226 3 ↓
Mid Mid (pH 6-8) -2.89 1.27 -50.69 5 6 1 98 193.234 3 ↓
Mid Mid (pH 6-8) -2.89 1.9 -38.29 5 6 1 98 193.234 3 ↓
Mid Mid (pH 6-8) -2.89 1.31 -44.04 5 6 1 98 193.234 3 ↓
Lo Low (pH 4.5-6) -2.89 1.71 -113.13 6 6 2 99 194.242 3 ↓
Lo Low (pH 4.5-6) -2.89 1.74 -101.92 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.