UCSF

ZINC01571181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

CAS Number: 550-44-7

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) 1.54 2 -7.86 1 3 0 50 161.16 0

Vendor Notes

Note Type Comments Provided By
mp 183 - 189 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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