UCSF

ZINC63001155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

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) 3.94 11.49 -26.82 2 2 1 26 297.447 3
Mid Mid (pH 6-8) 4.88 11.09 -7.42 1 2 0 24 296.439 2

Activity (Go SEA)

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

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