UCSF

ZINC67946952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 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) 0.48 5.05 -51.06 1 9 -1 104 321.324 4
Lo Low (pH 4.5-6) 0.48 5.13 -19.96 2 9 0 106 322.332 4

Activity (Go SEA)

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

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