UCSF

ZINC66156269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 38 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) 3.13 10.92 -85.36 3 9 0 123 523.63 9
Hi High (pH 8-9.5) 3.13 8.94 -60.02 2 9 -1 122 522.622 9

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.