UCSF

ZINC20462923

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 Yes

Popular Name: 2-[(3R,4S)-3-[2-(2-dimethylaminoethyl-methyl-amino)ethyl]-1-(3,3-dimethylbutanoyl)-4-piperidyl]aceti 2-[(3R,4S)-3-[2-(2-dimethylamino…

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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) 2.36 8.93 -60.21 1 6 0 68 369.55 10 ↓
Mid Mid (pH 6-8) 2.36 9.08 -65.31 1 6 0 68 369.55 10 ↓
Mid Mid (pH 6-8) 2.36 11.46 -123.54 2 6 1 69 370.558 10 ↓
Lo Low (pH 4.5-6) 2.36 10.33 -115.55 3 6 2 66 371.566 10 ↓

Activity (Go SEA)

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