UCSF

ZINC60119415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 44 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.80 17.68 -28.78 0 14 0 190 600.588 15
Mid Mid (pH 6-8) 5.80 19.87 -104.69 1 14 1 191 601.596 15

Activity (Go SEA)

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

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