UCSF

ZINC06457672

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 28 Yes

Popular Name: 3-[2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-8-yl]propan- 3-[2-(3-chlorophenyl)-4-(4-metho…

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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) 3.73 9.92 -32.42 2 6 1 74 397.886 6 ↓
Mid Mid (pH 6-8) 3.73 10.84 -33.35 3 6 1 77 397.886 6 ↓
Mid Mid (pH 6-8) 3.73 9.45 -15.44 1 6 0 73 396.878 6 ↓
Lo Low (pH 4.5-6) 3.73 9.77 -38.77 2 6 1 74 397.886 6 ↓

Activity (Go SEA)

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