UCSF

ZINC12551999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 23 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) 3.89 5.22 -10.17 1 5 0 65 400.294 5
Hi High (pH 8-9.5) 3.89 5.31 -41.79 0 5 -1 67 399.286 5

Activity (Go SEA)

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

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