UCSF

ZINC01628358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

CAS Numbers: 83-31-8 , [83-31-8]

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) 2.25 -4.14 -14.2 0 3 0 43 206.222 0

Vendor Notes

Note Type Comments Provided By
MP 158 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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

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