UCSF

ZINC56874234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 40 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) -0.76 -10.81 -25.5 9 14 0 240 564.496 5
Hi High (pH 8-9.5) -0.76 -9.82 -80.3 8 14 -1 243 563.488 5

Activity (Go SEA)

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

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