UCSF

ZINC12222639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 Yes

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-[(3,4-dimethoxyphenyl)methyl]-…

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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) 2.13 -1.17 -15.28 1 7 0 78 416.481 8 ↓
Lo Low (pH 4.5-6) 2.13 -1.06 -44.51 2 7 1 80 417.489 8 ↓
Lo Low (pH 4.5-6) 2.13 -1.06 -48.3 2 7 1 80 417.489 8 ↓
Lo Low (pH 4.5-6) 2.13 -0.95 -90.81 3 7 2 81 418.497 8 ↓

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Rings

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

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