UCSF

ZINC56874742

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 31 No

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) -5.45 -19.42 -205.35 16 14 3 261 458.485 5
Hi High (pH 8-9.5) -5.45 -20.46 -13.38 13 14 0 257 455.461 5
Hi High (pH 8-9.5) -5.45 -20.14 -49.73 14 14 1 258 456.469 5
Hi High (pH 8-9.5) -5.45 -19.54 -53.52 14 14 1 258 456.469 5
Mid Mid (pH 6-8) -5.45 -19.79 -129.52 15 14 2 260 457.477 5

Activity (Go SEA)

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

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