UCSF

ZINC23009596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 24 Yes

Popular Name: 6-methyl-5-(4-thiazol-2-ylpiperazine-1-carbonyl)-3H-furo[4,5-e]pyrimidin-4-one 6-methyl-5-(4-thiazol-2-ylpipera…

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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) -0.14 3.9 -22.09 1 8 0 95 345.384 2 ↓
Mid Mid (pH 6-8) 0.32 1.76 -53.75 0 8 -1 98 344.376 2 ↓
Lo Low (pH 4.5-6) -0.14 4.35 -46.69 2 8 1 97 346.392 2 ↓

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

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