UCSF

ZINC38652275

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 37 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) 4.74 8.78 -13.22 1 10 0 121 498.495 6
Hi High (pH 8-9.5) 5.20 6.97 -39.97 0 10 -1 125 497.487 6

Activity (Go SEA)

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

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