UCSF

ZINC13546804

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 4.79 6.28 -9.79 2 5 0 75 405.273 3
Hi High (pH 8-9.5) 5.25 4.76 -39.51 1 5 -1 78 404.265 3
Hi High (pH 8-9.5) 5.25 4.07 -40.71 1 5 -1 78 404.265 3

Activity (Go SEA)

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