UCSF

ZINC66971243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 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) 3.82 8.88 -48.64 2 3 1 34 306.842 4
Hi High (pH 8-9.5) 3.82 7.69 -9.24 1 3 0 30 305.834 4

Activity (Go SEA)

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

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