UCSF

ZINC20278664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 Yes

CAS Numbers: 1220029-13-9 , N/A

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) 0.63 3.79 -41.8 4 4 1 55 195.29 5
Mid Mid (pH 6-8) 0.63 4.16 -84.82 5 4 2 57 196.298 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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