UCSF

ZINC13406549

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 10 No

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) 0.99 4.12 -52.29 0 3 -1 53 137.114 2

Vendor Notes

Note Type Comments Provided By
mp 132 - 133 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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