UCSF

ZINC61699950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 3.00 6.62 -48.73 2 5 1 60 343.274 5
Hi High (pH 8-9.5) 3.00 5.51 -8.52 1 5 0 56 342.266 5

Activity (Go SEA)

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

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