UCSF

ZINC69871536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 2.77 8.5 -15.11 0 4 0 39 294.141 2
Lo Low (pH 4.5-6) 2.77 8.96 -32.06 1 4 1 41 295.149 2

Activity (Go SEA)

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

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