UCSF

ZINC65564711

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 28 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) 2.30 6.46 -10.22 1 8 0 84 410.54 5
Mid Mid (pH 6-8) 2.30 8.08 -50.11 2 8 1 85 411.548 5

Activity (Go SEA)

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

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