UCSF

ZINC69161897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 24 Yes

Popular Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[6-(4-methylpiperazin-1-yl)-3…

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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) 2.29 9.99 -78.07 3 5 2 47 341.484 4 ↓
Hi High (pH 8-9.5) 2.29 7.62 -34.76 2 5 1 46 340.476 4 ↓
Hi High (pH 8-9.5) 2.29 7.26 -7.63 1 5 0 44 339.468 4 ↓
Mid Mid (pH 6-8) 2.29 10.3 -160.23 4 5 3 48 342.492 4 ↓
Mid Mid (pH 6-8) 2.29 7.94 -87.69 3 5 2 47 341.484 4 ↓

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

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