UCSF

ZINC62039407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 28 Yes

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.31 10.83 -102.98 3 7 2 88 406.552 7 ↓
Hi High (pH 8-9.5) 1.31 6.18 -13.71 1 7 0 86 404.536 7 ↓
Mid Mid (pH 6-8) 1.31 8.6 -48.13 2 7 1 87 405.544 7 ↓
Mid Mid (pH 6-8) 1.31 8.42 -59.32 2 7 1 87 405.544 7 ↓

Activity (Go SEA)

Rings

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

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