UCSF

ZINC21830459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) -0.04 6.24 -10.54 4 7 0 109 251.319 4
Mid Mid (pH 6-8) -0.04 6.73 -31.98 5 7 1 110 252.327 4

Activity (Go SEA)

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

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