UCSF

ZINC52918792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 21 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) 2.39 3.03 -46.32 2 5 -1 84 280.307 3
Lo Low (pH 4.5-6) 2.39 2.3 -9.15 3 5 0 81 281.315 3

Activity (Go SEA)

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

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