UCSF

ZINC38570242

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 31 No

Popular Name: (5R,6S)-5-[(1R,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-benzyl-6-hydroxy-2-t (5R,6S)-5-[(1R,9aS)-6-methoxy-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) 2.66 5.91 -18.2 4 7 0 90 436.537 4 ↓
Mid Mid (pH 6-8) 2.66 6.93 -53.33 5 7 1 94 437.545 4 ↓

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

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