UCSF

ZINC36754337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

Popular Name: 5-[(4-amino-1-piperidyl)methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 5-[(4-amino-1-piperidyl)methyl]-…

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) -0.73 2.54 -71.73 3 7 0 97 248.29 2 ↓
Mid Mid (pH 6-8) -0.73 4.48 -53.15 3 7 0 97 248.29 2 ↓
Lo Low (pH 4.5-6) -1.18 5.45 -140.58 5 7 2 95 250.306 2 ↓
Lo Low (pH 4.5-6) -1.18 3.11 -59.96 4 7 1 94 249.298 2 ↓

Activity (Go SEA)

Rings

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

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