UCSF

ZINC33817937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 2.88 11.43 -117.09 0 6 -2 102 404.205 5
Mid Mid (pH 6-8) 2.88 10.54 -62.92 1 6 -1 105 405.213 5

Activity (Go SEA)

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

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