UCSF

ZINC54769971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 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) 1.46 -1 -47.52 2 6 -1 94 273.297 3
Lo Low (pH 4.5-6) 1.46 -1.73 -11.85 3 6 0 91 274.305 3

Activity (Go SEA)

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

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