UCSF

ZINC65492205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 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) 0.44 1.53 -18.77 2 8 0 97 331.328 2
Hi High (pH 8-9.5) 0.62 -1.12 -48.96 1 8 -1 103 330.32 2

Activity (Go SEA)

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

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