UCSF

ZINC40544475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.23 2.51 -6.64 0 3 0 39 239.072 1
Lo Low (pH 4.5-6) 2.23 2.98 -36.94 1 3 1 40 240.08 1

Activity (Go SEA)

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

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