UCSF

ZINC67458519

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 No

Popular Name: (4R)-4-(2-methylsulfanylethyl)-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4, (4R)-4-(2-methylsulfanylethyl)-5…

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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) 1.42 11.64 -43.46 2 6 1 64 355.491 6 ↓
Hi High (pH 8-9.5) 1.42 11.17 -14.13 1 6 0 63 354.483 6 ↓
Mid Mid (pH 6-8) 1.42 12.85 -54.45 2 6 1 64 355.491 6 ↓

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

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