UCSF

ZINC64874831

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.38 2.28 -17.54 4 5 0 88 235.218 1
Hi High (pH 8-9.5) 0.83 2.25 -55.77 3 5 -1 91 234.21 1

Activity (Go SEA)

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

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