UCSF

ZINC04972689

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 7 Yes

Popular Name: 3-Methylbutyrolactone 3-Methylbutyrolactone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1679-49-8 , 64190-48-3

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) -0.09 3.39 -7.79 0 2 0 26 100.117 0 ↓

Activity (Go SEA)

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