UCSF

ZINC65528557

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: (3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(5R)-5H-purin-6-yl]piperidin-3-ol (3S,4S)-4-(1,3-benzodioxol-5-yl)…

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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) 1.05 4.81 -14.2 1 8 0 91 339.355 2 ↓
Mid Mid (pH 6-8) 1.05 4.98 -50.7 2 8 1 93 340.363 2 ↓

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

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