UCSF

ZINC52516460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 0.02 4.32 -105.09 3 4 2 47 276.446 5
Hi High (pH 8-9.5) 0.02 2.18 -41.08 2 4 1 46 275.438 5

Activity (Go SEA)

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

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