UCSF

ZINC65505264

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Popular Name: 2-[[(3aR,4R)-4-methyl-3a,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-3,4-dihydro-1H-isoquinol 2-[[(3aR,4R)-4-methyl-3a,5,6,7-t…

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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) 2.06 7.15 -38.83 3 4 1 49 283.399 2 ↓
Hi High (pH 8-9.5) 2.06 6.57 -7.5 2 4 0 44 282.391 2 ↓
Mid Mid (pH 6-8) 2.06 8.69 -42.41 3 4 1 45 283.399 2 ↓
Mid Mid (pH 6-8) 2.06 7.02 -32.78 3 4 1 45 283.399 2 ↓
Mid Mid (pH 6-8) 2.06 9.15 -97.66 4 4 2 46 284.407 2 ↓
Lo Low (pH 4.5-6) 2.06 8.65 -112.33 4 4 2 50 284.407 2 ↓

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

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