UCSF

ZINC69808121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

Popular Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-amino-6-methyl-pyrimidin-2…

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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) 2.04 3.77 -15.4 3 6 0 98 305.388 3 ↓
Mid Mid (pH 6-8) 2.50 1.27 -55.01 2 6 -1 101 304.38 3 ↓
Lo Low (pH 4.5-6) 2.04 4.18 -38.37 4 6 1 99 306.396 3 ↓

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

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