UCSF

ZINC24989273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 Yes

Popular Name: 2-methoxyethyl-[2-(4-pyridyl)ethylsulfanyl]BLAHone 2-methoxyethyl-[2-(4-pyridyl)eth…

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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) 2.89 9.89 -13.64 0 5 0 57 387.53 7 ↓
Lo Low (pH 4.5-6) 2.89 10.33 -45.53 1 5 1 58 388.538 7 ↓

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

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