UCSF

ZINC22063071

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 Yes

CAS Number: 14174-08-4

Other Names:

benzo-12-crown4-ether

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) 1.84 5.95 -9.24 0 4 0 45 224.256 6

Activity (Go SEA)

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