UCSF

ZINC23043028

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 No

Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-diethylaminophenyl)-4-methyl-pen (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4…

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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) 3.81 11.53 -26.61 2 6 0 71 412.554 8 ↓
Mid Mid (pH 6-8) 3.81 11.52 -13.31 1 6 0 70 411.546 8 ↓
Mid Mid (pH 6-8) 3.81 11.44 -12.38 1 6 0 70 411.546 8 ↓

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

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