UCSF

ZINC68899392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 No

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) 0.91 5.66 -31.5 2 4 1 54 225.312 5
Hi High (pH 8-9.5) 0.91 4.93 -7.97 1 4 0 49 224.304 5

Activity (Go SEA)

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

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