UCSF

ZINC19926516

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 27 Yes

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

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Other Names:

MFCD07760295

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) 2.47 9.2 -50.95 2 5 1 53 381.525 4 ↓
Hi High (pH 8-9.5) 2.92 8.18 -40.5 1 5 0 57 380.517 4 ↓
Lo Low (pH 4.5-6) 2.47 11.6 -94.18 3 5 2 55 382.533 4 ↓

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