UCSF

ZINC58309097

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 31 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) 4.77 12.14 -42.32 2 5 1 46 432.569 4
Hi High (pH 8-9.5) 4.77 9.76 -10.48 1 5 0 45 431.561 4

Activity (Go SEA)

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

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