UCSF

ZINC09108682

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 23 Yes

Popular Name: 5-(2-chloro-6-fluoro-phenyl)-3-hydroxy-10-methyl-9-methylsulfanyl-2,8,10-triazabicyclo[4.4.0]deca-2, 5-(2-chloro-6-fluoro-phenyl)-3-h…

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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) 2.52 3.94 -18.03 1 5 0 67 353.806 2 ↓
Mid Mid (pH 6-8) 2.52 4.93 -30.43 2 5 1 69 354.814 2 ↓

Activity (Go SEA)

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