UCSF

ZINC67967141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 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) 1.52 6.79 -61.43 3 8 1 89 399.519 5
Hi High (pH 8-9.5) 1.52 5.1 -13.86 2 8 0 84 398.511 5

Activity (Go SEA)

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

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