UCSF

ZINC35016706

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 No

Popular Name: O4-ethyl O4-ethyl

Find On: PubMed — Wikipedia — Google

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) 1.82 8.01 -34.05 1 6 -1 83 353.445 7 ↓
Hi High (pH 8-9.5) 1.86 7.14 -105.08 0 6 -2 83 352.437 7 ↓
Mid Mid (pH 6-8) 2.57 8.87 -14.17 2 6 0 77 354.453 8 ↓
Mid Mid (pH 6-8) 2.61 7.98 -45.71 1 6 -1 77 353.445 8 ↓

Activity (Go SEA)

Rings

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