UCSF

ZINC69132492

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 22 Yes

Popular Name: N,N-dimethyl-5-[[(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]methyl]pyridin-2-amine N,N-dimethyl-5-[[(3-methyl-1H-py…

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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) 1.09 5.53 -35.57 3 6 1 71 297.386 5 ↓
Mid Mid (pH 6-8) 1.09 6.95 -119.68 4 6 2 76 298.394 5 ↓
Mid Mid (pH 6-8) 1.09 5.29 -11.76 2 6 0 70 296.378 5 ↓
Mid Mid (pH 6-8) 1.09 6.6 -59.56 3 6 1 74 297.386 5 ↓

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Rings

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

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