UCSF

ZINC66157530

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 46 No

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) 3.90 6.99 -62.67 7 11 1 154 630.814 18
Mid Mid (pH 6-8) 3.90 6.69 -21.48 6 11 0 153 629.806 18

Activity (Go SEA)

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

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