UCSF

ZINC71497104

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 13 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) -0.40 3.18 -34.09 4 2 1 43 177.271 2
Lo Low (pH 4.5-6) -0.40 3.51 -113.86 5 2 2 44 178.279 2

Activity (Go SEA)

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

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