UCSF

ZINC38570357

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 No

Popular Name: (5S,6S)-5-[(1R,9aS)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-(3,5-dimethylphenyl)-6-hydroxy (5S,6S)-5-[(1R,9aS)-2,3,4,9a-tet…

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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) 3.75 7.33 -10.6 4 6 0 80 420.538 2 ↓
Lo Low (pH 4.5-6) 3.75 7.91 -42.66 5 6 1 85 421.546 2 ↓

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

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