UCSF

ZINC55070662

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 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) -0.71 6.9 -58.8 3 5 1 64 284.424 7
Hi High (pH 8-9.5) -0.71 6.94 -32.4 2 5 0 60 283.416 7
Hi High (pH 8-9.5) -0.71 4.99 -31.06 2 5 0 63 283.416 7

Activity (Go SEA)

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

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