UCSF

ZINC66124385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 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) 2.63 3.07 -12.57 3 7 0 113 386.4 4
Hi High (pH 8-9.5) 2.63 3.71 -58.99 2 7 -1 116 385.392 4
Hi High (pH 8-9.5) 2.63 3.85 -51.65 2 7 -1 116 385.392 4

Activity (Go SEA)

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

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