UCSF

ZINC12400328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 26 Yes

Popular Name: 2-isobutyl-4,9-dimethyl-7-(2-pyridylmethylsulfanyl)-2,4,8,10-tetrazabicyclo[4.4.0]deca-6,8,10-triene 2-isobutyl-4,9-dimethyl-7-(2-pyr…

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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) 1.51 -0.29 -10.05 0 7 0 83 371.466 5 ↓
Lo Low (pH 4.5-6) 1.51 9.68 -36.61 1 7 1 84 372.474 5 ↓

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

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