UCSF

ZINC67739663

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: (4S)-5-[(1-isopropylbenzimidazol-2-yl)methyl]-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-5-[(1-isopropylbenzimidazol…

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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) 2.66 9.77 -13.9 1 6 0 63 372.476 4 ↓
Mid Mid (pH 6-8) 2.66 10.23 -39.33 2 6 1 64 373.484 4 ↓
Mid Mid (pH 6-8) 2.66 11.84 -36.25 2 6 1 64 373.484 4 ↓

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

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