UCSF

ZINC38570867

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 Yes

Popular Name: (5S,6S)-5-[(1R,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-1-hexyl-6-hydroxy-hexahydrop (5S,6S)-5-[(1R,9aS)-2-ethyl-1,3,…

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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) 3.94 2.98 -57.06 2 7 -1 95 411.526 7 ↓
Mid Mid (pH 6-8) 4.31 5.9 -8.16 3 7 0 89 412.534 7 ↓
Lo Low (pH 4.5-6) 3.94 5.17 -31.86 3 7 0 96 412.534 7 ↓
Lo Low (pH 4.5-6) 4.31 7.88 -37.16 4 7 1 90 413.542 7 ↓

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

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