UCSF

ZINC49551866

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 Yes

Popular Name: (5R)-1-benzyl-N-(2-fluorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (5R)-1-benzyl-N-(2-fluorophenyl)…

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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) 1.42 4.38 -18.53 3 8 0 117 408.389 4 ↓
Ref Reference (pH 7) 1.87 5.11 -40.07 2 8 -1 119 407.381 4 ↓
Hi High (pH 8-9.5) 1.88 1.65 -65.32 2 8 -1 120 407.381 4 ↓

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

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