UCSF

ZINC64976513

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 25 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) 2.23 0.71 -13.49 3 8 0 113 363.395 5
Hi High (pH 8-9.5) 2.23 0.67 -45.53 2 8 -1 115 362.387 5

Activity (Go SEA)

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

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