UCSF

ZINC05562588

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 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) 3.10 11.86 -20.18 2 7 0 81 397.866 5
Hi High (pH 8-9.5) 3.27 12.46 -17.78 2 7 0 84 397.866 5

Activity (Go SEA)

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

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