UCSF

ZINC21579652

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 2.49 6.31 -53.77 3 5 1 63 324.47 10
Hi High (pH 8-9.5) 2.49 4.05 -23.54 2 5 0 61 323.462 10

Activity (Go SEA)

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