UCSF

ZINC13014531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 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) 5.32 12.73 -17.14 1 5 0 59 418.909 4
Mid Mid (pH 6-8) 5.32 13.17 -36.1 2 5 1 61 419.917 4

Activity (Go SEA)

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

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