UCSF

ZINC22688715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 Yes

CAS Number: 1048922-37-7

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) 2.62 5.99 -56.19 1 5 -1 74 291.352 6
Mid Mid (pH 6-8) 2.62 6.36 -54.99 2 5 0 76 292.36 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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