UCSF

ZINC63958526

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

Popular Name: (5S)-3-[[(1S,9aS)-1-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]methyl]-5-tert-butyl-2,5-dihyd (5S)-3-[[(1S,9aS)-1-methyl-1,3,4…

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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) 3.54 5.43 -81.21 3 5 2 52 328.46 3 ↓
Hi High (pH 8-9.5) 3.54 5.22 -28.28 2 5 1 51 327.452 3 ↓

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

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