UCSF

ZINC55504091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 24 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) 3.21 7.48 -13.84 1 6 0 89 342.376 4
Hi High (pH 8-9.5) 3.66 5.76 -43.37 0 6 -1 92 341.368 4

Activity (Go SEA)

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

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