UCSF

ZINC43222008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 28 No

Popular Name: (1R,3R,3aS,6aS)-5-tert-butyl-1-(4-cyanophenyl)-3-isopropyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4 (1R,3R,3aS,6aS)-5-tert-butyl-1-(…

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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) 0.20 9.49 -42.74 2 7 0 118 383.448 4 ↓
Hi High (pH 8-9.5) 0.20 8.04 -38.81 1 7 -1 113 382.44 4 ↓
Mid Mid (pH 6-8) 0.20 8.51 -44.47 1 7 -1 113 382.44 4 ↓

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