UCSF

ZINC56874858

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 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) -4.55 -9.34 -291.39 14 9 4 179 338.449 4
Hi High (pH 8-9.5) -4.55 -10.86 -41.61 11 9 1 171 335.425 4
Hi High (pH 8-9.5) -4.55 -10.54 -102.97 12 9 2 172 336.433 4
Mid Mid (pH 6-8) -4.55 -9.04 -176.39 13 9 3 177 337.441 4

Activity (Go SEA)

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

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