UCSF

ZINC09348119

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 24 Yes

Popular Name: 7-(2,4-dimethoxyphenyl)-9-hydroxy-3-methylsulfanyl-2,4,10-triazabicyclo[4.4.0]deca-2,9,11-trien-5-on 7-(2,4-dimethoxyphenyl)-9-hydrox…

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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) 2.12 3.9 -12.81 2 7 0 93 347.396 4 ↓
Mid Mid (pH 6-8) 2.58 1.95 -44.54 1 7 -1 96 346.388 4 ↓
Mid Mid (pH 6-8) 2.12 3.35 -19.46 2 7 0 93 347.396 4 ↓
Mid Mid (pH 6-8) 2.31 1.16 -13.91 2 7 0 97 347.396 4 ↓

Activity (Go SEA)

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