UCSF

ZINC67432230

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 No

Popular Name: 4-[[(4R)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic 4-[[(4R)-4-(2-methylsulfanylethy…

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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) 2.54 10.9 -78.72 2 5 0 73 331.441 6 ↓
Hi High (pH 8-9.5) 2.54 9.23 -55.62 1 5 -1 72 330.433 6 ↓
Mid Mid (pH 6-8) 2.54 9.7 -75.51 2 5 0 73 331.441 6 ↓

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

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