UCSF

ZINC69842193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 0.24 6.04 -45.88 1 7 1 61 325.433 6
Mid Mid (pH 6-8) 0.24 3.75 -10.86 0 7 0 60 324.425 6
Mid Mid (pH 6-8) 0.24 4.85 -54.77 1 7 1 61 325.433 6

Activity (Go SEA)

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

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