UCSF

ZINC58003948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 19 Yes

Popular Name: 2-[(3-thienylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(3-thienylmethylamino)methyl]…

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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) 1.84 7 -49.21 2 4 1 51 272.353 4 ↓
Mid Mid (pH 6-8) 1.84 5.61 -12.82 1 4 0 46 271.345 4 ↓
Mid Mid (pH 6-8) 1.84 6.01 -35.23 2 4 1 48 272.353 4 ↓

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Rings

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

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