UCSF

ZINC17308136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 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) 4.58 6.15 -16.33 1 7 0 93 478.617 7
Hi High (pH 8-9.5) 4.58 6.22 -54.65 0 7 -1 95 477.609 7

Activity (Go SEA)

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

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