UCSF

ZINC06603387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 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) 3.92 6.9 -25.66 2 7 0 89 404.879 7
Hi High (pH 8-9.5) 3.92 6.74 -52.56 1 7 -1 87 403.871 7

Activity (Go SEA)

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