UCSF

ZINC49526592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 21 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) 4.34 10.29 -29.11 2 2 1 26 297.447 4
Hi High (pH 8-9.5) 4.34 10.31 -29.02 2 2 1 26 297.447 3
Hi High (pH 8-9.5) 4.34 9.66 -7.14 1 2 0 24 296.439 3

Activity (Go SEA)

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

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