UCSF

ZINC69842975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 1.04 0.55 -35.76 3 3 1 46 186.275 1
Hi High (pH 8-9.5) 1.04 -0.67 -3.25 2 3 0 41 185.267 1

Activity (Go SEA)

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

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