UCSF

ZINC65164472

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 25 Yes

Popular Name: 1-[(3aR,4S)-4-(4-pyridyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-chlorophenyl)ethanone 1-[(3aR,4S)-4-(4-pyridyl)-3a,4,6…

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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 9.71 -48.93 2 5 1 63 353.833 3 ↓
Mid Mid (pH 6-8) 2.54 9.26 -14.36 1 5 0 62 352.825 3 ↓
Lo Low (pH 4.5-6) 2.54 10.17 -100.41 3 5 2 64 354.841 3 ↓

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

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