UCSF

ZINC69493272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 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) -0.32 2.25 -43.78 2 6 1 73 262.337 6
Hi High (pH 8-9.5) -0.32 0.88 -11.64 1 6 0 69 261.329 6

Activity (Go SEA)

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

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