UCSF

ZINC69179709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 24 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) 2.60 6.34 -16.82 1 6 0 81 324.336 4
Hi High (pH 8-9.5) 3.06 4.54 -61.91 0 6 -1 84 323.328 4

Activity (Go SEA)

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

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