UCSF

ZINC03845581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 24 Yes

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) 5.45 12.71 -6.16 0 1 0 17 318.46 3

Vendor Notes

Note Type Comments Provided By
mp 107 MolMall (formerly Molecular Diversity Preservation International)
mp 137 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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