UCSF

ZINC00187299

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic-acid-ethyl-es (4S)-4-(1,3-benzodioxol-5-yl)-6-…

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) 2.80 6.65 -11.54 2 6 0 69 320.37 4 ↓
Hi High (pH 8-9.5) 2.05 5.58 -35.26 1 6 -1 75 319.362 3 ↓

Activity (Go SEA)

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