UCSF

ZINC71602900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 26 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) 2.52 9.36 -105.25 2 6 0 82 377.441 3
Hi High (pH 8-9.5) 2.52 8.06 -62.86 1 6 -1 77 376.433 3
Lo Low (pH 4.5-6) 2.52 7.73 -63.56 3 6 1 79 378.449 3

Activity (Go SEA)

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

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