UCSF

ZINC65526897

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: 1-[4-(1,3-dihydro-1,2,4-triazol-2-yl)phenyl]-N-(2H-imidazol-2-ylmethyl)-N-methyl-methanamine 1-[4-(1,3-dihydro-1,2,4-triazol-…

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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) 0.80 5.94 -35.7 3 6 1 61 271.348 5 ↓
Mid Mid (pH 6-8) 0.80 4.92 -13.29 2 6 0 60 270.34 5 ↓
Lo Low (pH 4.5-6) 0.80 7.23 -45.52 3 6 1 61 271.348 5 ↓

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

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