UCSF

ZINC60022589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 Yes

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) 4.22 10.56 -63.87 4 6 1 72 457.598 6
Hi High (pH 8-9.5) 4.22 8.33 -13.02 3 6 0 71 456.59 6

Activity (Go SEA)

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

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