UCSF

ZINC31545383

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 Yes

Popular Name: LS-158129; N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tryptophan; Tryptophan, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)- LS-158129; N-((5-Chloro-8-hydrox…

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Annotations

Vendors

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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) 1.89 9.63 -61.27 3 8 -1 132 441.847 5 ↓
Hi High (pH 8-9.5) 1.89 10.72 -135.21 2 8 -2 134 440.839 5 ↓

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