UCSF

ZINC51170690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 17 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) 2.65 5.83 -58.27 1 5 -1 78 296.1 3
Lo Low (pH 4.5-6) 2.65 5.97 -32.68 2 5 0 79 297.108 3

Activity (Go SEA)

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

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