UCSF

ZINC65734238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 23 No

Popular Name: (2R,4S)-2-[[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-thiazolidine-4-carbox (2R,4S)-2-[[[(2R)-2-amino-2-(4-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.21 -0.52 -43.66 5 7 -1 128 338.409 5 ↓
Mid Mid (pH 6-8) -3.21 -0.2 -69.97 6 7 0 129 339.417 5 ↓
Mid Mid (pH 6-8) -3.21 0.9 -37.91 6 7 0 132 339.417 5 ↓
Lo Low (pH 4.5-6) -3.21 1.22 -90.96 7 7 1 134 340.425 5 ↓

Activity (Go SEA)

Rings

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

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