UCSF

ZINC54697231

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.39 3.25 -45.19 2 5 1 51 238.359 4
Hi High (pH 8-9.5) 0.39 1.88 -7.9 1 5 0 46 237.351 4
Lo Low (pH 4.5-6) 0.39 4.14 -90.06 3 5 2 52 239.367 4

Activity (Go SEA)

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

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