UCSF

ZINC13680281

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 1.20 3.77 -18.45 2 8 0 105 417.487 5
Hi High (pH 8-9.5) 1.20 3.85 -44.86 1 8 -1 107 416.479 5

Activity (Go SEA)

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

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