UCSF

ZINC43471405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.77 6.99 -105.79 4 4 2 45 279.428 5
Hi High (pH 8-9.5) 1.77 4.44 -39.62 3 4 1 43 278.42 5

Activity (Go SEA)

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