UCSF

ZINC49277173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 2.91 5.74 -10.91 2 4 0 62 296.798 4
Hi High (pH 8-9.5) 3.37 3.71 -40.81 1 4 -1 65 295.79 4

Activity (Go SEA)

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

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