UCSF

ZINC31562127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 Yes

Popular Name: 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-isobutyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-; 2,3,4,5-Tetrahydro-2-isobutyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole; LS-133669 1H-Pyrido(4,3-b)indole, 2,3,4,5-…

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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) 4.41 14.72 -43.95 1 3 1 22 362.541 5 ↓
Hi High (pH 8-9.5) 4.41 12.79 -8.13 0 3 0 21 361.533 5 ↓
Lo Low (pH 4.5-6) 4.41 15.16 -85.32 2 3 2 24 363.549 5 ↓

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