UCSF

ZINC20121488

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 Yes

Popular Name: (1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-(((phenylmethyl)amino)methyl)-; 2-(((Phenylmethyl)amino)methyl)-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidin-4(3H)-one; 2-((N-Benzylamino)methyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo(b)thieno (1)Benzothieno(2,3-d)pyrimidin-4…

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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) 2.98 7.3 -11.83 2 4 0 58 325.437 4 ↓
Lo Low (pH 4.5-6) 2.98 8.14 -76.6 3 4 1 62 326.445 4 ↓

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