UCSF

ZINC03849579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 21 No

CAS Number: 481-29-8

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) 3.43 6.72 -6.31 1 2 0 37 290.447 0

Vendor Notes

Note Type Comments Provided By
mp 173 - 174 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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

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