UCSF

ZINC19844578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 Yes

CAS Numbers: 1019461-43-8 , 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) 1.90 6.21 -57.38 1 4 0 58 220.272 2
Hi High (pH 8-9.5) 1.90 5.78 -53.12 0 4 -1 56 219.264 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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