UCSF

ZINC12222789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 Yes

Popular Name: 1-[(2S,3R)-2,3-dimethyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-on 1-[(2S,3R)-2,3-dimethyl-1-piperi…

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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) 3.25 0.13 -10.16 0 5 0 51 376.504 4 ↓
Lo Low (pH 4.5-6) 3.25 0.2 -42.46 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.28 -36.39 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.35 -83.52 2 5 2 54 378.52 4 ↓

Activity (Go SEA)

Rings

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