UCSF

ZINC56874866

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 22 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) -4.81 -15.4 -102.92 12 10 2 195 326.346 3
Hi High (pH 8-9.5) -4.81 -16.38 -10.19 10 10 0 192 324.33 3
Mid Mid (pH 6-8) -4.81 -15.78 -44.28 11 10 1 194 325.338 3

Activity (Go SEA)

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

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