UCSF

ZINC67446796

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 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) 0.24 3.59 -93.47 3 8 0 123 387.483 7
Hi High (pH 8-9.5) 0.24 2.23 -69.63 2 8 -1 119 386.475 7

Activity (Go SEA)

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

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