UCSF

ZINC57291641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 27 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) 3.67 9.62 -53.89 0 6 -1 80 380.449 5 ↓
Hi High (pH 8-9.5) 2.95 11.08 -118.84 0 6 -2 81 379.441 4 ↓
Mid Mid (pH 6-8) 3.66 10.42 -17.41 1 6 0 76 381.457 5 ↓

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

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