UCSF

ZINC48797517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 21 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) 4.20 6.87 -36.05 3 3 1 37 356.328 7
Hi High (pH 8-9.5) 4.20 7.63 -52.12 2 3 0 40 355.32 7
Hi High (pH 8-9.5) 4.20 6.72 -31.92 2 3 0 43 355.32 7
Hi High (pH 8-9.5) 4.20 9.02 -79.75 3 3 1 44 356.328 7
Hi High (pH 8-9.5) 4.20 5.97 -42.23 3 3 1 40 356.328 7

Activity (Go SEA)

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

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