UCSF

ZINC04514421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 29 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) 4.27 7.58 -20.41 3 6 0 86 404.857 5
Hi High (pH 8-9.5) 4.72 5.98 -50.03 2 6 -1 89 403.849 5
Hi High (pH 8-9.5) 4.72 5.68 -61.06 2 6 -1 89 403.849 5

Activity (Go SEA)

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