UCSF

ZINC52045770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 19 No

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) -0.64 10.43 -26.09 3 3 1 41 274.775 4
Mid Mid (pH 6-8) 3.39 10.15 -6.94 2 3 0 42 273.767 4

Activity (Go SEA)

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

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