UCSF

ZINC23936068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 32 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) 3.98 9.49 -19.41 2 7 0 97 451.91 8 ↓
Hi High (pH 8-9.5) 4.44 7.75 -49.74 1 7 -1 100 450.902 8 ↓
Mid Mid (pH 6-8) 4.44 7.79 -57.64 2 7 0 105 451.91 8 ↓

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

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