UCSF

ZINC04899214

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 25 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) 4.10 6.94 -15.78 1 6 0 78 392.531 5
Hi High (pH 8-9.5) 3.17 6.66 -45.38 0 6 -1 77 391.523 6

Activity (Go SEA)

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