UCSF

ZINC49400880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 33 Yes

Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(1R)-1-(3-methoxyphenyl)et 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

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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) 2.34 11.48 -50.7 2 7 1 78 447.559 7 ↓
Mid Mid (pH 6-8) 2.34 9.19 -23.2 1 7 0 76 446.551 7 ↓

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

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