UCSF

ZINC69673863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 19 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) -0.62 -1.17 -42.98 2 7 -1 109 279.301 4
Mid Mid (pH 6-8) -0.44 -0.64 -28.21 3 7 0 110 280.309 3

Activity (Go SEA)

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

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