UCSF

ZINC65493000

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 No

Popular Name: (3aR,4S)-4-[2-(o-tolyl)-1,3-dihydropyrazol-4-yl]-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-[2-(o-tolyl)-1,3-dihy…

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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) 2.05 6.67 -33.24 4 5 1 57 282.371 2 ↓
Hi High (pH 8-9.5) 2.05 6.2 -9.04 3 5 0 56 281.363 2 ↓
Lo Low (pH 4.5-6) 2.05 7.98 -102 5 5 2 62 283.379 2 ↓

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

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