UCSF

ZINC23039882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 26 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) 3.04 8.18 -16.25 1 6 0 75 371.824 5
Hi High (pH 8-9.5) 3.50 5.46 -54.67 0 6 -1 78 370.816 5

Activity (Go SEA)

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

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