UCSF

ZINC95616605

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2014 0 Yes

CAS Numbers: 65666-07-1 , 72581-71-6 , [72581-71-6]

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) 1.47 -1.77 -16.11 5 10 0 155 482.441 4

Vendor Notes

Note Type Comments Provided By
Target NULL Selleck Chemicals

Activity (Go SEA)

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

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