UCSF

ZINC68894936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 13 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) -0.76 2.05 -17.77 0 3 0 37 201.291 3
Lo Low (pH 4.5-6) -0.76 4.14 -55.86 1 3 1 39 202.299 3

Activity (Go SEA)

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

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