UCSF

ZINC01700330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: Isovaleranilide Isovaleranilide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19246-04-9 , 2364-50-3

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) 2.77 5.56 -7.63 1 2 0 29 177.247 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-74? Alfa-Aesar
Melting_Point 72-74° Alfa-Aesar

Activity (Go SEA)

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

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