UCSF

ZINC42142910

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 Yes

Popular Name: 2-[2-(4-pyridyl)ethylsulfanyl]-1,3-benzoxazol-6-amine 2-[2-(4-pyridyl)ethylsulfanyl]-1…

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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) 2.02 3.38 -11.05 2 4 0 65 271.345 4 ↓
Lo Low (pH 4.5-6) 2.02 3.84 -39.82 3 4 1 66 272.353 4 ↓

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

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