UCSF

ZINC67031233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 25 No

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) 3.17 10.64 -46.68 2 6 1 79 342.419 8
Hi High (pH 8-9.5) 3.17 8.31 -8.77 1 6 0 78 341.411 8

Activity (Go SEA)

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

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