UCSF

ZINC09240400

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 Yes

Popular Name: 9-amino-2-(4-fluorophenyl)-N-phenethyl-4-(2-thienyl)-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraen 9-amino-2-(4-fluorophenyl)-N-phe…

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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) 6.21 -2.87 -9.64 3 4 0 68 473.598 6 ↓
Lo Low (pH 4.5-6) 6.21 -2.73 -33.94 4 4 1 69 474.606 6 ↓

Activity (Go SEA)

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