UCSF

ZINC60021308

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 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) -0.78 4.24 -104.78 4 11 0 161 481.585 9
Hi High (pH 8-9.5) -0.78 3.85 -68.13 3 11 -1 159 480.577 9

Activity (Go SEA)

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

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