UCSF

ZINC67473504

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Substance Information

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

Popular Name: 3-[2-[(4S)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzoxa 3-[2-[(4S)-4-(2-methylsulfanylet…

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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) 2.16 9.5 -42.61 2 6 1 68 359.475 6 ↓
Mid Mid (pH 6-8) 2.16 9.03 -13.67 1 6 0 67 358.467 6 ↓
Lo Low (pH 4.5-6) 2.16 10.7 -49.96 2 6 1 68 359.475 6 ↓

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

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