UCSF

ZINC67934053

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 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) 2.26 9.51 -52.85 2 5 1 51 353.49 3
Hi High (pH 8-9.5) 2.26 7.26 -11.54 1 5 0 50 352.482 3

Activity (Go SEA)

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

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