UCSF

ZINC01758084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: Propyl benzoate Propyl benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2315-68-6 , 2360-45-4 , [2315-68-6]

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) 2.99 6.86 -5.6 0 2 0 26 164.204 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 230 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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