UCSF

ZINC33359852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2009 43 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) -2.92 -0.37 -96.07 10 14 0 255 602.641 10
Hi High (pH 8-9.5) -2.92 0.17 -223.89 8 14 -2 253 600.625 10
Mid Mid (pH 6-8) -2.29 0.28 -128.76 10 14 0 262 602.641 10
Mid Mid (pH 6-8) -2.29 -2.4 -249.54 8 14 -2 257 600.625 10
Mid Mid (pH 6-8) -3.50 1.9 -179.78 9 14 0 256 602.641 10
Mid Mid (pH 6-8) -2.92 -0.83 -155.31 9 14 -1 250 601.633 10
Mid Mid (pH 6-8) -2.92 1.11 -143.09 10 14 0 251 602.641 10
Mid Mid (pH 6-8) -2.92 1.56 -108.67 11 14 1 256 603.649 10

Activity (Go SEA)

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

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