UCSF

ZINC37328632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 Yes

Popular Name: 2-[(phenethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(phenethylamino)methyl]-3H-th…

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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) 2.21 5.38 -12.19 2 4 0 58 285.372 5 ↓
Lo Low (pH 4.5-6) 2.67 4.11 -51.53 2 4 0 65 285.372 5 ↓
Lo Low (pH 4.5-6) 2.21 6.74 -59.16 3 4 1 62 286.38 5 ↓

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

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