UCSF

ZINC66122868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 Yes

Popular Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-3-(2-naphthyl)propanoic (2S)-2-[[(2S,3R)-3-amino-2-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) 0.20 8.54 -52.72 5 6 0 117 392.455 8 ↓
Hi High (pH 8-9.5) 0.20 8.97 -68.95 4 6 -1 120 391.447 8 ↓
Mid Mid (pH 6-8) 0.20 8.16 -52.34 4 6 -1 115 391.447 8 ↓

Activity (Go SEA)

Rings

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

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