UCSF

ZINC05932757

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 11 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) -0.78 -0.24 -7.87 3 5 0 81 150.141 0
Mid Mid (pH 6-8) -0.39 -0.19 -21.7 4 5 0 88 150.141 0
Mid Mid (pH 6-8) 0.06 -2.43 -9.88 4 5 0 88 150.141 0
Lo Low (pH 4.5-6) -0.39 -0.34 -62.58 5 5 1 88 151.149 0

Activity (Go SEA)

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

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