UCSF

ZINC62596559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 20 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) 1.58 5.24 -49.99 3 6 1 89 298.388 9 ↓
Mid Mid (pH 6-8) 2.04 2.25 -47.43 1 6 -1 87 296.372 9 ↓
Mid Mid (pH 6-8) 1.58 4.34 -10.82 2 6 0 84 297.38 9 ↓
Mid Mid (pH 6-8) 2.04 3.74 -65.46 2 6 0 92 297.38 9 ↓

Activity (Go SEA)

Rings

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

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