UCSF

ZINC21992919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 35 Yes

CAS Number: 22888-70-6

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 -3.72 -28.35 6 10 0 166 482.441 4
Hi High (pH 8-9.5) 1.38 -2.71 -69.76 5 10 -1 169 481.433 4

Activity (Go SEA)

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

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