UCSF

ZINC25637879

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 29 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) 1.49 9.33 -47.15 1 6 1 46 400.522 5
Hi High (pH 8-9.5) 1.49 6.79 -9.75 0 6 0 45 399.514 5

Activity (Go SEA)

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