UCSF

ZINC66066368

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 28 Yes

Popular Name: (2S)-2-[[(2S)-2-[[(4S,5S)-5-fluoro-2,6-dioxo-hexahydropyrimidine-4-carbonyl]amino]-4-methyl-pentanoy (2S)-2-[[(2S)-2-[[(4S,5S)-5-fluo…

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) -1.33 -0.64 -102.35 3 10 -2 163 400.407 9 ↓
Lo Low (pH 4.5-6) -1.52 2 -54.18 4 10 -1 157 401.415 9 ↓

Activity (Go SEA)

Rings

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

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