UCSF

ZINC09560715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 23 Yes

Popular Name: N-(5-hydroxy-3-methyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl)-3,4-dimethyl-benzenesu N-(5-hydroxy-3-methyl-2,6,7,9-te…

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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) 1.71 6.93 -47.61 1 8 -1 112 332.365 3 ↓
Hi High (pH 8-9.5) 1.71 -4.03 -41.16 1 8 -1 111 332.365 3 ↓
Mid Mid (pH 6-8) 1.71 6.97 -110.75 0 8 -2 114 331.357 3 ↓

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Rings

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

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