UCSF

ZINC13228380

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 23 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) 4.55 9.77 -13.62 1 3 0 42 304.393 4
Lo Low (pH 4.5-6) 4.55 10.04 -31.55 2 3 1 43 305.401 4

Vendor Notes

Note Type Comments Provided By
mp 262 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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