UCSF

ZINC12232382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 19 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) 0.25 -3.34 -7.63 1 7 0 76 263.301 2
Mid Mid (pH 6-8) 0.25 -3.09 -33.34 2 7 1 77 264.309 2

Activity (Go SEA)

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

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