UCSF

ZINC05142056

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 29 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) 4.72 11.49 -14.49 0 5 0 55 403.507 6
Lo Low (pH 4.5-6) 4.72 11.78 -44.87 1 5 1 57 404.515 6

Activity (Go SEA)

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