UCSF

ZINC54930823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 0.97 -1.77 -10.94 3 5 0 86 204.185 1
Mid Mid (pH 6-8) 1.43 -3.62 -49.42 2 5 -1 89 203.177 1

Activity (Go SEA)

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

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