UCSF

ZINC15205642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 23 No

CAS Numbers: 1109-28-0 , 6363-53-7 , [6363-53-7]

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) -4.45 -15.6 -12.64 8 11 0 190 342.297 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.