UCSF

ZINC20534110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 2.84 6.47 -14.73 2 5 0 71 270.317 3
Hi High (pH 8-9.5) 2.84 6.29 -46.76 1 5 -1 69 269.309 3
Mid Mid (pH 6-8) 2.84 6.78 -20.48 2 5 0 71 270.317 3
Mid Mid (pH 6-8) 2.84 6.64 -12.2 2 5 0 71 270.317 3

Activity (Go SEA)

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

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