UCSF

ZINC36753923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 Yes

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

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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) 0.04 2.78 -55.25 3 6 1 78 294.404 3 ↓
Mid Mid (pH 6-8) 0.05 4.75 -48.15 3 6 1 78 294.404 3 ↓
Lo Low (pH 4.5-6) 0.04 2.76 -94.55 4 6 2 79 295.412 3 ↓

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

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