UCSF

ZINC09332623

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 21 Yes

Popular Name: 2-(3-fluorophenyl)-4-hydroxy-8-methylsulfanyl-5,7,9-triazabicyclo[4.4.0]deca-4,7,11-trien-10-one 2-(3-fluorophenyl)-4-hydroxy-8-m…

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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) 2.22 5.27 -10.63 2 5 0 75 305.334 2 ↓
Mid Mid (pH 6-8) 2.68 3.34 -39.96 1 5 -1 78 304.326 2 ↓
Mid Mid (pH 6-8) 2.40 2.54 -11.61 2 5 0 78 305.334 2 ↓
Mid Mid (pH 6-8) 2.22 4.73 -17.34 2 5 0 75 305.334 2 ↓

Activity (Go SEA)

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