UCSF

ZINC22171970

Substance Information

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

CAS Numbers: 953904-28-4 , 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) 3.08 6.43 -26.17 3 3 1 43 220.34 3
Mid Mid (pH 6-8) 3.08 5.99 -5.95 2 3 0 42 219.332 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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