UCSF

ZINC09422163

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 23 No

Popular Name: 3-butyl-8,9-dimethyl-7-(2-pyridylmethyl)-3,5,7-triazabicyclo[4.3.0]nona-4,8,10-trien-2-imine 3-butyl-8,9-dimethyl-7-(2-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) -0.79 11.66 -29.32 2 5 1 61 310.425 5 ↓
Lo Low (pH 4.5-6) 1.50 1.05 -75.8 3 5 2 62 311.433 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.