UCSF

ZINC60561318

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.11 5.81 -28 3 6 0 87 320.352 5
Lo Low (pH 4.5-6) 2.11 6.3 -52.32 4 6 1 88 321.36 5

Activity (Go SEA)

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

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