UCSF

ZINC65526415

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: (3S,3aR)-3-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-5,7-dimethyl-3,3a-dihydropyr (3S,3aR)-3-[(3aR,4R)-4,5,6,7-tet…

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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) 1.44 4.23 -38.27 3 6 1 70 271.348 1 ↓
Hi High (pH 8-9.5) 1.44 3.75 -9.29 2 6 0 69 270.34 1 ↓
Lo Low (pH 4.5-6) 1.44 5.24 -95.96 4 6 2 74 272.356 1 ↓

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

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