UCSF

ZINC54860436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 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) -1.10 1.46 -49.44 3 7 1 85 277.352 5
Hi High (pH 8-9.5) -1.10 0.07 -16.71 2 7 0 81 276.344 5

Activity (Go SEA)

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

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