UCSF

ZINC01225949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 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) 5.87 0.72 -10.48 0 2 0 25 332.406 2
Lo Low (pH 4.5-6) 5.87 0.85 -34.93 1 2 1 27 333.414 2

Vendor Notes

Note Type Comments Provided By
mp 108 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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