UCSF

ZINC54745193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) 1.36 5.43 -49.32 2 5 1 60 224.332 6
Hi High (pH 8-9.5) 1.36 4.13 -9.41 1 5 0 56 223.324 6

Activity (Go SEA)

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

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