UCSF

ZINC54717692

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 20 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) 0.27 4.8 -42.29 2 6 1 61 278.38 7
Hi High (pH 8-9.5) 0.27 3.36 -10.49 1 6 0 57 277.372 7

Activity (Go SEA)

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

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