UCSF

ZINC53884877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 Yes

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) 2.77 4.96 -3.23 1 2 0 23 251.292 5
Mid Mid (pH 6-8) 2.77 6.27 -32.09 2 2 1 25 252.3 5

Activity (Go SEA)

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

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