UCSF

ZINC01845686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 17 Yes

CAS Numbers: 785-78-4 , [785-78-4]

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) 3.82 2.45 -7.67 0 1 0 17 224.303 4

Vendor Notes

Note Type Comments Provided By
MP 68-70° Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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