UCSF

ZINC09134898

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 31 Yes

Popular Name: 8-benzylsulfanyl-N-(2,5-dimethoxyphenyl)-3-oxo-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene-5-carboxa 8-benzylsulfanyl-N-(2,5-dimethox…

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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) 2.44 8.66 -13.45 2 9 0 107 439.497 7 ↓
Mid Mid (pH 6-8) 2.62 6.61 -49.49 1 9 -1 114 438.489 7 ↓

Activity (Go SEA)

Rings

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