UCSF

ZINC12222795

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 Yes

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

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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) 1.62 -1.49 -11.57 0 6 0 60 350.422 4 ↓
Lo Low (pH 4.5-6) 1.62 -1.42 -43.78 1 6 1 62 351.43 4 ↓
Lo Low (pH 4.5-6) 1.62 -1.36 -39.61 1 6 1 62 351.43 4 ↓
Lo Low (pH 4.5-6) 1.62 -1.29 -86.37 2 6 2 63 352.438 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.