UCSF

ZINC53299699

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 18 Yes

Popular Name: 3-(4-hydroxypyrimidin-2-yl)sulfanyl-1-piperazin-1-yl-propan-1-one 3-(4-hydroxypyrimidin-2-yl)sulfa…

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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) -0.15 2.52 -58.15 3 6 1 83 269.35 4 ↓
Hi High (pH 8-9.5) 0.31 -0.75 -54.63 1 6 -1 81 267.334 4 ↓
Mid Mid (pH 6-8) 0.31 0.54 -86.06 2 6 0 86 268.342 4 ↓

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

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