UCSF

ZINC52875913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 Yes

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) 3.58 9.7 -37.83 2 5 1 40 381.544 7
Mid Mid (pH 6-8) 3.58 11.91 -82.44 3 5 2 41 382.552 7

Activity (Go SEA)

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

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