UCSF

ZINC52358632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 23 Yes

Popular Name: 2-methyl-7-[(4-thiazol-2-ylpiperazin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-methyl-7-[(4-thiazol-2-ylpiper…

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) 0.85 7.54 -56.41 1 7 1 68 349.465 3 ↓
Mid Mid (pH 6-8) 0.85 5.28 -17.99 0 7 0 67 348.457 3 ↓
Lo Low (pH 4.5-6) 0.85 5.67 -81.54 2 7 2 69 350.473 3 ↓

Activity (Go SEA)

Rings

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

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