UCSF

ZINC58316824

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 27 Yes

Popular Name: 3-ethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamid 3-ethyl-2,4-dioxo-N-(5,6,7,8-tet…

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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) 0.62 6.77 -41.89 3 8 1 103 368.417 4 ↓
Hi High (pH 8-9.5) 1.08 4.47 -48.69 1 8 -1 105 366.401 4 ↓
Mid Mid (pH 6-8) 0.62 6.34 -14.46 2 8 0 102 367.409 4 ↓

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

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