UCSF

ZINC67725180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) 3.46 9.47 -79.07 2 4 2 25 340.515 1
Hi High (pH 8-9.5) 3.46 9.65 -77.32 2 4 2 25 340.515 1
Hi High (pH 8-9.5) 3.46 7.42 -29.14 1 4 1 24 339.507 1

Activity (Go SEA)

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

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