UCSF

ZINC67967319

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 No

Popular Name: 2-[[(4S)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinolin-8-ol 2-[[(4S)-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) 2.44 7.05 -38.61 3 5 1 66 355.487 5 ↓
Hi High (pH 8-9.5) 2.44 6.57 -11.29 2 5 0 65 354.479 5 ↓
Mid Mid (pH 6-8) 2.44 9.06 -52.09 2 5 0 69 354.479 5 ↓
Lo Low (pH 4.5-6) 2.44 7.09 -82.14 4 5 2 68 356.495 5 ↓

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Rings

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

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