UCSF

ZINC71555268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.47 3.07 -30.01 2 8 0 122 393.446 6
Hi High (pH 8-9.5) 1.92 0.45 -66.65 1 8 -1 125 392.438 6

Activity (Go SEA)

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

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