UCSF

ZINC40836221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 3.56 5.78 -13.67 1 5 0 73 298.294 2
Hi High (pH 8-9.5) 3.56 6.55 -50 0 5 -1 76 297.286 2

Activity (Go SEA)

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