UCSF

ZINC43284866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 16 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) 0.94 3.06 -67.6 3 4 1 78 300.205 5
Hi High (pH 8-9.5) 0.94 1.83 -14.6 2 4 0 77 299.197 5

Activity (Go SEA)

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