UCSF

ZINC08971000

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 Yes

Popular Name: 7-chloro-N-(3-imidazol-1-ylpropyl)-4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-d 7-chloro-N-(3-imidazol-1-ylpropy…

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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) 2.98 9.78 -41.06 3 7 1 78 453.876 7 ↓
Mid Mid (pH 6-8) 2.98 9.27 -16.69 2 7 0 77 452.868 7 ↓
Mid Mid (pH 6-8) 3.16 9.8 -38.96 3 7 1 82 453.876 7 ↓
Mid Mid (pH 6-8) 3.16 10.31 -78.44 4 7 2 83 454.884 7 ↓

Activity (Go SEA)

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