UCSF

ZINC13682009

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) 1.84 3.43 -20.59 3 8 0 118 399.399 9
Hi High (pH 8-9.5) 2.03 0.78 -61.91 2 8 -1 125 398.391 9
Hi High (pH 8-9.5) 1.84 4.41 -62.26 2 8 -1 121 398.391 9

Activity (Go SEA)

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

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