UCSF

ZINC48962496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 Yes

Popular Name: N-methyl-N-(2-pyridylmethyl)thieno[3,2-d]pyrimidin-4-amine N-methyl-N-(2-pyridylmethyl)thie…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.75 7.29 -8.56 0 4 0 42 256.334 3 ↓
Lo Low (pH 4.5-6) 1.75 7.96 -33.95 1 4 1 43 257.342 3 ↓
Lo Low (pH 4.5-6) 1.75 8.42 -79.49 2 4 2 44 258.35 3 ↓

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

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