UCSF

ZINC53663777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 Yes

Popular Name: N,N'-dimethyl-N'-thieno[3,2-d]pyrimidin-4-yl-ethane-1,2-diamine N,N'-dimethyl-N'-thieno[3,2-d]py…

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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) 1.31 5.27 -44.23 2 4 1 46 223.325 4 ↓
Hi High (pH 8-9.5) 1.31 3.84 -8.66 1 4 0 41 222.317 4 ↓
Lo Low (pH 4.5-6) 1.31 5.73 -85.44 3 4 2 47 224.333 4 ↓

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

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