UCSF

ZINC38570440

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 32 No

Popular Name: (5R,6S)-5-[(1S,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-6-hydroxy-1-phenethyl- (5R,6S)-5-[(1S,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) 3.06 6.89 -15.31 4 7 0 90 450.564 5 ↓
Mid Mid (pH 6-8) 3.06 8 -48.41 5 7 1 94 451.572 5 ↓

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

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