UCSF

ZINC08836738

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 No

Popular Name: 5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8 5-(4-chlorophenyl)-1-(2-dimethyl…

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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) 2.91 10.71 -68.72 1 7 0 82 438.915 6 ↓
Hi High (pH 8-9.5) 2.91 8.17 -56.67 0 7 -1 81 437.907 6 ↓
Mid Mid (pH 6-8) 2.33 0.5 -55.1 1 7 1 76 439.923 6 ↓
Mid Mid (pH 6-8) 3.36 1.1 -90.33 3 7 2 80 440.931 5 ↓
Mid Mid (pH 6-8) 2.33 0.67 -87 2 7 2 77 440.931 6 ↓

Activity (Go SEA)

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