UCSF

ZINC67540676

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 19 Yes

Popular Name: 4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol 4-(hydroxymethyl)-1-(7-methylthi…

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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) 1.10 2.24 -8.69 2 5 0 69 279.365 2 ↓
Lo Low (pH 4.5-6) 1.10 2.69 -27.72 3 5 1 71 280.373 2 ↓

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

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