UCSF

ZINC52815844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 2.15 5.9 -8.4 1 3 0 38 199.257 3
Mid Mid (pH 6-8) 2.15 6.07 -30.31 2 3 1 39 200.265 3
Mid Mid (pH 6-8) 2.15 6.07 -33.52 2 3 1 39 200.265 3

Activity (Go SEA)

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

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