UCSF

ZINC30909251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 20 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) 2.85 7.16 -40.87 2 4 1 44 339.257 5
Hi High (pH 8-9.5) 2.85 5.87 -7.77 1 4 0 39 338.249 5

Activity (Go SEA)

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