UCSF

ZINC04736953

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 30 Yes

Popular Name: 5-(2-allyloxyphenyl)-3-methyl-N-(o-tolyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-triene-4-carboxami 5-(2-allyloxyphenyl)-3-methyl-N-…

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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) 3.88 12.8 -17.12 2 7 0 81 401.47 6 ↓
Mid Mid (pH 6-8) 4.06 13.4 -52.94 3 7 1 86 402.478 6 ↓

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

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