UCSF

ZINC12403167

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 No

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) 6.09 10.3 -16.87 2 8 0 118 460.486 10 ↓
Hi High (pH 8-9.5) 6.09 11.28 -67.73 1 8 -1 121 459.478 10 ↓
Hi High (pH 8-9.5) 6.09 12.3 -118.38 0 8 -2 123 458.47 10 ↓
Lo Low (pH 4.5-6) 6.09 10.59 -64.24 3 8 1 119 461.494 10 ↓

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Rings

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

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