UCSF

ZINC69703907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: 3-methyl-7-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]methyl]thiazolo[3,2-a]pyrimidin-5-one 3-methyl-7-[[(3S)-3-(1,2,4-triaz…

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) 0.97 9.3 -40.54 1 7 1 70 345.452 4 ↓
Hi High (pH 8-9.5) 0.97 8.9 -16.54 0 7 0 68 344.444 4 ↓
Hi High (pH 8-9.5) 0.97 11.16 -52.88 1 7 1 70 345.452 4 ↓

Activity (Go SEA)

Rings

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

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