UCSF

ZINC70289165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 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) 1.38 4.31 -42.05 3 4 1 53 277.388 4
Hi High (pH 8-9.5) 1.38 3.83 -4.66 2 4 0 52 276.38 4
Lo Low (pH 4.5-6) 1.38 6.28 -101.37 4 4 2 54 278.396 4

Activity (Go SEA)

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

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