UCSF

ZINC38175118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2010 12 Yes

Popular Name: DiethylMaleate DiethylMaleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141-05-9 , 623-91-6

Other Names:

DiethylFumarate

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) 0.96 5.74 -100.41 0 4 -2 80 170.164 4 ↓
Lo Low (pH 4.5-6) 0.96 1.76 -5.54 2 4 0 75 172.18 4 ↓
Lo Low (pH 4.5-6) 0.96 3.73 -41.25 1 4 -1 77 171.172 4 ↓

Activity (Go SEA)

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

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