UCSF

ZINC36331199

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 46 No

Popular Name: [hydroxy-trimethyl-oxo-(3-pyridyl)spiro[BLAH-BLAH,1'-cyclohexane]yl] [hydroxy-trimethyl-oxo-(3-pyridy…

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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) 5.39 11.73 -55.63 4 10 1 145 637.794 6 ↓
Mid Mid (pH 6-8) 5.39 11.44 -9.64 3 10 0 143 636.786 6 ↓
Lo Low (pH 4.5-6) 5.39 12.2 -103.76 5 10 2 146 638.802 6 ↓

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