UCSF

ZINC37868343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2009 32 No

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) -1.60 -0.57 -112.16 5 10 0 181 441.416 2
Hi High (pH 8-9.5) -1.02 2.12 -175.46 5 10 -2 191 440.408 2
Mid Mid (pH 6-8) -0.57 0.5 -94.87 6 10 -1 188 441.416 2
Mid Mid (pH 6-8) -1.60 2 -94.45 5 10 -1 185 441.416 2
Mid Mid (pH 6-8) -1.60 1.49 -78.19 6 10 0 182 442.424 2

Activity (Go SEA)

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

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