UCSF

ZINC53313385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 26 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) 6.87 12.01 -7.44 1 2 0 24 381.306 2
Lo Low (pH 4.5-6) 6.87 12.37 -32.49 2 2 1 26 382.314 2

Vendor Notes

Note Type Comments Provided By
mp 248 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.