UCSF

ZINC67966905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: 3-amino-6-[3-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]-3-oxo-propyl]-4H-1,2,4-triazin-5-one 3-amino-6-[3-[4-hydroxy-4-(5-met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.31 1.94 -23.14 4 9 0 138 358.402 4 ↓
Mid Mid (pH 6-8) 0.15 0.63 -48.87 3 9 -1 141 357.394 4 ↓
Lo Low (pH 4.5-6) -0.31 2.46 -53.28 5 9 1 139 359.41 4 ↓

Activity (Go SEA)

Rings

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

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