UCSF

ZINC53299664

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 0.29 3.14 -58.28 3 6 1 83 283.377 4 ↓
Hi High (pH 8-9.5) 0.75 -0.15 -56.65 1 6 -1 81 281.361 4 ↓
Mid Mid (pH 6-8) 0.29 1.84 -14.19 2 6 0 78 282.369 4 ↓
Mid Mid (pH 6-8) 0.75 1.15 -87.87 2 6 0 86 282.369 4 ↓

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Rings

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

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