UCSF

ZINC68890859

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 1.38 2.58 -39.06 2 3 1 35 186.275 2
Hi High (pH 8-9.5) 1.38 1.41 -3.82 1 3 0 30 185.267 2

Activity (Go SEA)

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

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