UCSF

ZINC06439688

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 29 Yes

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

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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) 4.13 10.84 -16.17 1 6 0 73 410.905 7 ↓
Mid Mid (pH 6-8) 4.13 11.78 -34.7 3 6 1 77 411.913 7 ↓
Mid Mid (pH 6-8) 4.13 11.34 -34.37 2 6 1 74 411.913 7 ↓
Lo Low (pH 4.5-6) 4.13 11.18 -42.1 2 6 1 74 411.913 7 ↓

Activity (Go SEA)

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