UCSF

ZINC52580580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) -0.26 2.53 -50.54 1 6 -1 99 320.375 4
Lo Low (pH 4.5-6) -0.26 2.9 -48.51 2 6 0 100 321.383 4

Activity (Go SEA)

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

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