UCSF

ZINC44672281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 26 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) 4.85 13.06 -51.39 1 6 1 77 397.904 9
Hi High (pH 8-9.5) 4.85 10.87 -7.5 0 6 0 75 396.896 9

Activity (Go SEA)

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