UCSF

ZINC53654580

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 Yes

Popular Name: 2-[(2S,3S,3aR,7aS)-1-isobutyl-2,6,6-trimethyl-4-oxo-2,3,3a,5,7,7a-hexahydroindol-3-yl]-N-[2-(1H-imid 2-[(2S,3S,3aR,7aS)-1-isobutyl-2,…

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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) 2.52 9.62 -82.82 4 6 2 81 390.572 7 ↓
Hi High (pH 8-9.5) 2.52 7.14 -13.55 2 6 0 78 388.556 7 ↓
Mid Mid (pH 6-8) 2.52 9.21 -43.77 3 6 1 79 389.564 7 ↓

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

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