UCSF

ZINC60248836

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 8.77 16.03 -3.87 2 2 0 35 415.706 12
Lo Low (pH 4.5-6) 8.77 15.92 -41.79 3 2 1 37 416.714 12

Activity (Go SEA)

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