UCSF

ZINC50064786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 2.37 9.06 -29.49 1 5 1 48 288.371 5 ↓
Hi High (pH 8-9.5) 2.37 8.31 -16.69 0 5 0 47 287.363 5 ↓
Mid Mid (pH 6-8) 2.37 10.95 -91.55 2 5 2 49 289.379 5 ↓
Mid Mid (pH 6-8) 2.37 10.15 -37.23 1 5 1 48 288.371 5 ↓

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Rings

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

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