UCSF

ZINC19559224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 14 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) 0.44 -0.64 -21.47 1 6 0 85 217.25 5
Hi High (pH 8-9.5) 0.44 -1.05 -39.91 0 6 -1 87 216.242 5

Activity (Go SEA)

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

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