UCSF

ZINC22176732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 Yes

CAS Number: 933706-87-7

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) 1.78 6.31 -128.1 4 2 2 32 224.323 3
Mid Mid (pH 6-8) 1.78 4.27 -50.29 3 2 1 31 223.315 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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