UCSF

ZINC11820141

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 32 Yes

Popular Name: [5-(5-methyl-2-thienyl)-2H-pyrazol-3-yl]-[(1S)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2- [5-(5-methyl-2-thienyl)-2H-pyraz…

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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) 4.11 11.32 -12.39 2 6 0 78 439.544 3 ↓
Mid Mid (pH 6-8) 4.11 11.54 -11.45 2 6 0 78 439.544 3 ↓
Lo Low (pH 4.5-6) 4.11 12.04 -40.99 3 6 1 79 440.552 3 ↓
Lo Low (pH 4.5-6) 4.11 11.31 -39.11 3 6 1 79 440.552 3 ↓

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