UCSF

ZINC35502652

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 Yes

Popular Name: 2-[[isobutyl-[(4-isopropylphenyl)methyl]amino]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[isobutyl-[(4-isopropylphenyl…

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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) 5.53 14.43 -42.59 1 4 1 39 378.54 7 ↓
Hi High (pH 8-9.5) 5.53 12.78 -10.87 0 4 0 38 377.532 7 ↓
Mid Mid (pH 6-8) 5.53 13.17 -29.62 1 4 1 39 378.54 7 ↓

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

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