UCSF

ZINC29251442

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 40 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) 7.46 13.94 -145.54 6 6 3 78 553.13 11
Hi High (pH 8-9.5) 7.46 13.57 -101.57 5 6 2 77 552.122 11

Activity (Go SEA)

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