UCSF

ZINC69221970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 Yes

Popular Name: 7-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1R)-1-(2-chlorophenyl)ethy…

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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) 3.17 7.85 -38.08 2 4 1 48 320.825 4 ↓
Hi High (pH 8-9.5) 3.17 7.43 -10.98 1 4 0 46 319.817 4 ↓
Mid Mid (pH 6-8) 3.17 8.43 -46.11 2 4 1 51 320.825 4 ↓
Lo Low (pH 4.5-6) 3.17 8.85 -117.94 3 4 2 52 321.833 4 ↓

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Rings

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

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