UCSF

ZINC59819428

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 38 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) 4.70 13.19 -20.33 1 8 0 96 532.98 9
Mid Mid (pH 6-8) 5.10 12.44 -54.76 1 8 -1 102 531.972 9

Activity (Go SEA)

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

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