UCSF

ZINC67562285

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 23 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) 0.51 1 -94.25 4 7 0 123 360.457 4
Hi High (pH 8-9.5) 0.51 -0.37 -66.74 3 7 -1 119 359.449 4

Activity (Go SEA)

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

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