UCSF

ZINC66122866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 33 Yes

Popular Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-3-(4-benzyloxyphenyl)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) 0.67 9.48 -56.8 5 7 0 126 448.519 11 ↓
Hi High (pH 8-9.5) 0.67 10.08 -67.54 4 7 -1 129 447.511 11 ↓
Mid Mid (pH 6-8) 0.67 9.28 -51.69 4 7 -1 125 447.511 11 ↓

Activity (Go SEA)

Rings

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

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