UCSF

ZINC12222785

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.92 -0.02 -10.91 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 2.92 0.05 -42.53 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 2.92 0.11 -37.74 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 2.92 0.18 -84.33 2 5 2 54 364.493 4 ↓

Activity (Go SEA)

Rings

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