UCSF

ZINC10511895

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 27 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) 2.38 -3.38 -52.23 1 8 -1 113 398.388 9
Hi High (pH 8-9.5) 2.38 -2.83 -125.51 0 8 -2 116 397.38 9

Activity (Go SEA)

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

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