UCSF

ZINC13115400

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 Yes

Popular Name: 7-methyl-2-(2-phenylvinyl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one 7-methyl-2-(2-phenylvinyl)-2,3,5…

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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) 2.90 7.27 -42.09 3 4 1 46 326.445 2 ↓
Mid Mid (pH 6-8) 2.90 4.86 -10.69 2 4 0 44 325.437 2 ↓

Activity (Go SEA)

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