UCSF

ZINC55153859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 3-[[(5-methyl-2-thienyl)methyl-(4-pyridylmethyl)amino]methyl]chromen-4-one 3-[[(5-methyl-2-thienyl)methyl-(…

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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) 3.18 9.9 -16.34 0 4 0 46 376.481 6 ↓
Lo Low (pH 4.5-6) 3.18 12 -38.1 1 4 1 48 377.489 6 ↓

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

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