UCSF

ZINC80043864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 18 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) 1.72 4.34 -10.61 2 5 0 82 260.684 2
Mid Mid (pH 6-8) 1.72 4.37 -14.3 2 5 0 82 260.684 2

Activity (Go SEA)

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

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