UCSF

ZINC65322627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 33 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) 3.23 7.66 -13.9 2 8 0 84 442.523 7
Mid Mid (pH 6-8) 3.23 9.94 -51.32 3 8 1 85 443.531 7

Activity (Go SEA)

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

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