UCSF

ZINC05561871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 29 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) 3.40 12.32 -17.14 2 7 0 85 385.427 4
Hi High (pH 8-9.5) 3.58 12.86 -16.84 2 7 0 88 385.427 4

Activity (Go SEA)

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

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