UCSF

ZINC69221951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 24 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) 3.08 8.01 -39.55 2 5 1 52 353.87 4
Hi High (pH 8-9.5) 3.08 5.79 -8.84 1 5 0 51 352.862 4

Activity (Go SEA)

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

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