UCSF

ZINC69145785

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 Yes

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

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) 2.15 4.54 -5.17 2 5 0 65 296.411 6 ↓
Mid Mid (pH 6-8) 2.15 4.79 -43.74 3 5 1 66 297.419 6 ↓
Mid Mid (pH 6-8) 2.15 6.44 -32.76 3 5 1 66 297.419 6 ↓
Lo Low (pH 4.5-6) 2.15 6.67 -118.44 4 5 2 68 298.427 6 ↓

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Rings

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

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