UCSF

ZINC57291644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 31 Yes

Popular Name: ethyl ethyl

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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) 3.06 7.36 -49.73 0 9 -1 107 424.433 7 ↓
Hi High (pH 8-9.5) 2.35 8.58 -117.72 0 9 -2 108 423.425 6 ↓
Mid Mid (pH 6-8) 3.05 9.96 -17.79 1 9 0 104 425.441 7 ↓

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Rings

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

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