UCSF

ZINC09422149

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-butyl-8,9-dimethyl-3-(4-pyridylmethyl)-3,5,7-triazabicyclo[4.3.0]nona-4,8,10-trien-2-imine 7-butyl-8,9-dimethyl-3-(4-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) -0.91 11.76 -34.66 2 5 1 61 310.425 5 ↓
Lo Low (pH 4.5-6) -0.91 12.21 -89.93 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.