UCSF

ZINC69706516

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) 0.86 4.38 -42.38 3 6 1 72 342.366 6
Hi High (pH 8-9.5) 1.04 3.52 -58.09 2 6 0 78 341.358 6
Hi High (pH 8-9.5) 0.86 2.07 -8.68 2 6 0 71 341.358 6

Activity (Go SEA)

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

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