UCSF

ZINC33829306

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 No

Popular Name: 1,3-Heptanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-4-propyl-; 1-(1-Methyl-2-phenyl-1H-indol-3-yl)-4-propyl-1,3-heptanedione; 1H-Indole, 3-(1,3-dioxo-4-propylheptyl)-1-methyl-2-phenyl-; BRN 1501074; LS-74339 1,3-Heptanedione, 1-(1-methyl-2-…

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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) 6.04 16.02 -15.12 0 3 0 39 375.512 9 ↓
Hi High (pH 8-9.5) 6.78 15.41 -65.97 0 3 -1 45 374.504 8 ↓

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