UCSF

ZINC20462921

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 25 Yes

Popular Name: 2-[(3R,4S)-3-[2-(2-dimethylaminoethyl-methyl-amino)ethyl]-1-(2,2-dimethylpropanoyl)-4-piperidyl]acet 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) 2.09 7.67 -60.35 1 6 0 68 355.523 9 ↓
Mid Mid (pH 6-8) 2.09 7.81 -66.12 1 6 0 68 355.523 9 ↓
Mid Mid (pH 6-8) 2.09 10.19 -123.18 2 6 1 69 356.531 9 ↓
Lo Low (pH 4.5-6) 2.09 9.06 -115.76 3 6 2 66 357.539 9 ↓

Activity (Go SEA)

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