UCSF

ZINC36096789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 No

Popular Name: [(4R,5S,6R)-4-hydroxy-6-(4-hydroxy-3-nitro-phenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5- [(4R,5S,6R)-4-hydroxy-6-(4-hydro…

Find On: PubMed — Wikipedia — Google

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) 3.16 3.21 -18.35 4 8 0 127 447.416 5 ↓
Hi High (pH 8-9.5) 3.16 4.72 -91.21 2 8 -2 133 445.4 5 ↓

Activity (Go SEA)

Rings

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

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