UCSF

ZINC15941304

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 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) 3.40 7.74 -22.27 2 8 0 106 485.606 9
Hi High (pH 8-9.5) 3.40 7.33 -44.77 1 8 -1 108 484.598 9

Activity (Go SEA)

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

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