UCSF

ZINC66123799

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 45 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) 2.69 13.89 -32.84 2 10 0 119 614.791 11
Lo Low (pH 4.5-6) 2.69 14.2 -53.72 3 10 1 120 615.799 11

Activity (Go SEA)

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

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