UCSF

ZINC13407926

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 19 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) 3.56 1.82 -36.56 1 5 -1 73 334.075 3
Lo Low (pH 4.5-6) 3.10 3.45 -4.24 2 5 0 70 335.083 3

Vendor Notes

Note Type Comments Provided By
mp 211 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.