UCSF

ZINC44930341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) 0.52 -0.25 -38.1 1 7 -1 99 270.269 4
Lo Low (pH 4.5-6) 0.52 -0.01 -16.63 2 7 0 101 271.277 4

Activity (Go SEA)

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

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