UCSF

ZINC66635917

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 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) 2.09 2.47 -15.22 3 8 0 117 312.285 4
Hi High (pH 8-9.5) 2.09 2.57 -43.46 2 8 -1 116 311.277 4
Hi High (pH 8-9.5) 2.09 3.57 -92.5 1 8 -2 118 310.269 4

Activity (Go SEA)

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

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