UCSF

ZINC22705976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 Yes

Popular Name: ethyl ethyl

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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) 4.47 12.5 -45.72 2 6 1 63 470.659 8 ↓
Hi High (pH 8-9.5) 4.47 10.67 -11.31 1 6 0 62 469.651 8 ↓
Lo Low (pH 4.5-6) 4.47 14.83 -92.32 3 6 2 64 471.667 8 ↓

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Rings

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

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