UCSF

ZINC67975164

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 No

Popular Name: N-[4-[[(4S)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]ace N-[4-[[(4S)-4-(2-methylsulfanyle…

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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) 1.84 8.1 -40.58 3 5 1 62 345.492 6 ↓
Hi High (pH 8-9.5) 1.84 7.63 -12.75 2 5 0 61 344.484 6 ↓
Hi High (pH 8-9.5) 1.84 9.26 -42.71 3 5 1 62 345.492 6 ↓
Mid Mid (pH 6-8) 1.84 9.74 -107.55 4 5 2 63 346.5 6 ↓

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Rings

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

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