UCSF

ZINC09421800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 No

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) 4.11 -5.42 -15.88 1 6 0 71 425.535 4
Hi High (pH 8-9.5) 4.11 -4.84 -47.31 0 6 -1 73 424.527 4

Activity (Go SEA)

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

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