UCSF

ZINC42689581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 13 Yes

Popular Name: Methyl 3-cyano-5-methylbenzoate Methyl 3-cyano-5-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 1082041-26-6

Other Names:

MFCD11007826

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) 2.24 6.17 -6.93 0 3 0 50 175.187 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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