UCSF

ZINC69133020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 17 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) -0.45 0.52 -51.42 3 5 1 70 236.295 1
Hi High (pH 8-9.5) -0.45 -0.09 -45.9 1 5 -1 68 234.279 1
Mid Mid (pH 6-8) -0.45 1.81 -60.51 3 5 1 74 236.295 1
Mid Mid (pH 6-8) -0.45 -0.85 -8.61 2 5 0 65 235.287 1
Mid Mid (pH 6-8) -0.45 0.47 -20.24 2 5 0 70 235.287 1

Activity (Go SEA)

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

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