UCSF

ZINC20244613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -3.26 1.07 -67.63 2 8 -1 126 266.233 2
Hi High (pH 8-9.5) -2.81 -0.72 -111.93 1 8 -2 129 265.225 2
Mid Mid (pH 6-8) -2.81 -0.07 -107.62 1 8 -2 129 265.225 2

Activity (Go SEA)

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

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