UCSF

ZINC08898352

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 5-(3,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2, 5-(3,4-dichlorophenyl)-1-(3-dime…

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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) 3.79 12.51 -72.8 1 7 0 82 487.387 7 ↓
Mid Mid (pH 6-8) 4.23 12.02 -47.85 2 7 1 79 488.395 6 ↓
Mid Mid (pH 6-8) 4.23 12.43 -97.94 3 7 2 81 489.403 6 ↓

Activity (Go SEA)

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