UCSF

ZINC02041110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: Methyl heptanoate Methyl heptanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106-73-0 , [106-73-0]

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) 2.82 2.78 -4.83 0 2 0 26 144.214 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 172 TCI

Activity (Go SEA)

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