UCSF

ZINC06563727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 30 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) -1.78 9.9 -32.15 3 8 1 106 403.466 5
Lo Low (pH 4.5-6) -1.78 10.34 -88.13 4 8 2 108 404.474 5

Activity (Go SEA)

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