UCSF

ZINC41070399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 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) 0.10 1.82 -26.55 1 8 0 107 341.418 3
Hi High (pH 8-9.5) 0.17 0.01 -67.89 0 8 -1 113 340.41 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.