UCSF

ZINC53299678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 21 Yes

Popular Name: 2-(3-oxo-3-piperazin-1-yl-propyl)sulfanyl-6-propyl-1H-pyrimidin-4-one 2-(3-oxo-3-piperazin-1-yl-propyl…

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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) 1.37 4.65 -57.68 3 6 1 83 311.431 6 ↓
Hi High (pH 8-9.5) 1.82 1.43 -56.57 1 6 -1 81 309.415 6 ↓
Mid Mid (pH 6-8) 1.37 3.35 -13.67 2 6 0 78 310.423 6 ↓
Mid Mid (pH 6-8) 1.82 2.72 -87.72 2 6 0 86 310.423 6 ↓

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Rings

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

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