UCSF

ZINC20503856

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 30 Yes

Popular Name: 1-(4-acetylphenyl)-3-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]quinuclidin-2-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(2R,4S,5S…

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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) 2.29 8.12 -103.99 4 7 2 70 415.582 6 ↓
Hi High (pH 8-9.5) 2.29 3.48 -17.46 2 7 0 68 413.566 6 ↓
Mid Mid (pH 6-8) 2.29 7.73 -119.77 4 7 2 70 415.582 6 ↓
Mid Mid (pH 6-8) 2.29 5.65 -61.39 3 7 1 69 414.574 6 ↓

Activity (Go SEA)

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