UCSF

ZINC82059002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2012 9 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) -2.22 -2.49 -49.55 1 4 -1 73 128.107 1
Lo Low (pH 4.5-6) -2.22 -0.89 -38.74 2 4 0 74 129.115 1

Activity (Go SEA)

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

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