UCSF

ZINC34972503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 Yes

CAS Numbers: 1220017-90-2 , 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) 3.20 8.29 -105.05 3 2 2 21 226.408 4
Hi High (pH 8-9.5) 3.20 7.04 -33.42 2 2 1 16 225.4 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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