UCSF

ZINC20266199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 Yes

CAS Number: 321908-96-7

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 8.22 -106.55 4 3 2 35 283.419 4
Mid Mid (pH 6-8) 2.47 5.9 -44.84 3 3 1 34 282.411 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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