UCSF

ZINC39264965

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 Yes

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]purin-9-yl]-2,2-dimethyl-3a,4,6 (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) 0.06 4.49 -13.93 2 12 0 127 473.534 6 ↓
Mid Mid (pH 6-8) 0.06 6.79 -41.49 3 12 1 128 474.542 6 ↓

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