UCSF

ZINC22696446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 4.41 10.09 -49.22 3 7 1 89 482.626 10
Hi High (pH 8-9.5) 4.41 10.16 -74.55 2 7 0 91 481.618 10
Hi High (pH 8-9.5) 4.41 7.78 -59.87 1 7 -1 90 480.61 10

Activity (Go SEA)

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

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