UCSF

ZINC47294942

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.43 -0.24 -26.43 4 7 0 110 260.253 4
Hi High (pH 8-9.5) 0.43 0.77 -73 3 7 -1 113 259.245 4

Activity (Go SEA)

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