UCSF

ZINC54698863

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 3.06 8.95 -54.44 0 5 -1 71 292.403 5
Lo Low (pH 4.5-6) 3.06 6.98 -8.44 1 5 0 68 293.411 5

Activity (Go SEA)

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

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