UCSF

ZINC54418588

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 16 Yes

Popular Name: 7-[[2-aminoethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 7-[[2-aminoethyl(methyl)amino]me…

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) -0.70 0.04 -57.64 3 6 1 78 240.312 4 ↓
Lo Low (pH 4.5-6) -0.70 2.42 -132.59 4 6 2 79 241.32 4 ↓
Lo Low (pH 4.5-6) -0.70 -0.07 -99.07 4 6 2 79 241.32 4 ↓

Activity (Go SEA)

Rings

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

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