UCSF

ZINC21988989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.78 -0.24 -52.96 1 7 -1 101 288.33 4
Mid Mid (pH 6-8) 0.78 -0.91 -29.64 2 7 0 104 289.338 4

Activity (Go SEA)

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

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