UCSF

ZINC02034856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

Popular Name: 5-methylheptan-3-one 5-methylheptan-3-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 541-85-5 , [541-85-5]

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) 2.26 2.3 -4.36 0 1 0 17 128.215 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 157 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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