UCSF

ZINC41601195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 No

Popular Name: 2-(azepan-1-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one 2-(azepan-1-yl)-5,7-dihydro-3H-t…

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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) 2.54 8.19 -8.73 1 4 0 49 251.355 1 ↓
Hi High (pH 8-9.5) 3.00 6.42 -46.32 0 4 -1 52 250.347 1 ↓

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

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