UCSF

ZINC19820187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.25 9.66 -13.37 1 6 0 72 470.348 5
Hi High (pH 8-9.5) 4.32 8.75 -43.19 0 6 -1 78 469.34 5

Activity (Go SEA)

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