UCSF

ZINC69493409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 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 4.96 -41.17 2 3 1 29 269.796 4
Hi High (pH 8-9.5) 2.60 3.86 -3.27 1 3 0 24 268.788 4
Lo Low (pH 4.5-6) 2.60 6.29 -37.15 2 3 1 26 269.796 4
Lo Low (pH 4.5-6) 2.60 7.38 -105.7 3 3 2 30 270.804 4

Activity (Go SEA)

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

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