UCSF

ZINC57734271

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 27 No

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) 1.50 3.62 -15.26 2 7 0 102 396.509 10
Hi High (pH 8-9.5) 1.68 2.82 -49.39 1 7 -1 108 395.501 10

Activity (Go SEA)

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

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