UCSF

ZINC35372065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 37 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) 3.37 15.83 -50.33 1 7 1 63 504.63 7
Mid Mid (pH 6-8) 3.37 13.56 -18.94 0 7 0 62 503.622 7

Activity (Go SEA)

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

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