UCSF

ZINC65591185

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 27 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) 1.80 3.15 -52.37 4 6 1 94 412.429 8
Hi High (pH 8-9.5) 1.80 0.92 -15.62 3 6 0 93 411.421 8

Activity (Go SEA)

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

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