UCSF

ZINC04920082

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 30 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) 2.01 8.65 -26.95 1 7 0 81 403.438 6
Lo Low (pH 4.5-6) 2.01 8.92 -54.55 2 7 1 82 404.446 6

Activity (Go SEA)

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