UCSF

ZINC58649343

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 51 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) 9.91 27.82 -66.18 3 9 0 139 746.064 42
Hi High (pH 8-9.5) 9.91 27.43 -50.48 2 9 -1 137 745.056 42

Activity (Go SEA)

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