UCSF

ZINC62780183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 20 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) 0.33 6.24 -53.07 3 4 1 67 290.412 6
Hi High (pH 8-9.5) 0.33 5.91 -8.7 2 4 0 65 289.404 6

Activity (Go SEA)

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

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