UCSF

ZINC55153969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 Yes

Popular Name: ethyl 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) 0.66 3.31 -10.61 2 8 0 100 360.414 9 ↓
Mid Mid (pH 6-8) 0.66 3.26 -39.99 3 8 1 102 361.422 9 ↓
Lo Low (pH 4.5-6) 0.63 2.71 -41.48 1 8 1 96 359.406 9 ↓

Activity (Go SEA)

Rings

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

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