UCSF

ZINC22745292

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.99 15.93 -15.02 1 9 0 115 487.488 8 ↓
Hi High (pH 8-9.5) 5.17 15.73 -34.03 0 9 -1 116 486.48 8 ↓
Mid Mid (pH 6-8) 5.17 16.29 -41.79 2 9 1 120 488.496 8 ↓
Mid Mid (pH 6-8) 2.56 5.61 -16.33 2 6 0 80 344.411 7 ↓

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Rings

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

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