UCSF

ZINC56874855

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 25 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) -5.21 -15.25 -293.03 16 11 4 219 370.447 4
Hi High (pH 8-9.5) -5.21 -15.51 -85.11 14 11 2 216 368.431 4
Hi High (pH 8-9.5) -5.21 -16.9 -40.84 13 11 1 211 367.423 4
Mid Mid (pH 6-8) -5.21 -14.95 -176.74 15 11 3 218 369.439 4
Mid Mid (pH 6-8) -5.21 -15.71 -175.24 15 11 3 218 369.439 4

Activity (Go SEA)

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

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