UCSF

ZINC12222802

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 25 Yes

Popular Name: N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropanecarboxamide N-[3-[2-(2-methyl-3-pyridyl)pyrr…

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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) 2.40 -1.73 -12.4 1 5 0 60 334.423 6 ↓
Lo Low (pH 4.5-6) 2.40 -1.66 -44.97 2 5 1 61 335.431 6 ↓
Lo Low (pH 4.5-6) 2.40 -1.58 -40.96 2 5 1 61 335.431 6 ↓
Lo Low (pH 4.5-6) 2.40 -1.52 -87.45 3 5 2 62 336.439 6 ↓

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Rings

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