UCSF

ZINC66473927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 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) 2.87 7.5 -33.54 2 4 1 43 297.463 6
Hi High (pH 8-9.5) 2.87 5.3 -7.18 1 4 0 42 296.455 6

Activity (Go SEA)

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