UCSF

ZINC67981914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 22 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) -0.61 7.76 -77.09 4 5 1 81 305.398 5
Lo Low (pH 4.5-6) -0.61 5.22 -36.45 3 5 0 80 304.39 5

Activity (Go SEA)

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

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