UCSF

ZINC12222799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 21 Yes

Popular Name: 3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic 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) 1.67 -0.01 -52.47 0 5 -1 71 280.307 4 ↓
Lo Low (pH 4.5-6) 1.67 0.06 -62.93 1 5 0 72 281.315 4 ↓
Lo Low (pH 4.5-6) 1.67 0.12 -54.56 1 5 0 72 281.315 4 ↓
Lo Low (pH 4.5-6) 1.67 0.19 -78.79 2 5 1 73 282.323 4 ↓

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Rings

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

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