UCSF

ZINC36154371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 Yes

Popular Name: 5-(3-chlorophenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(3-chlorophenyl)-2-[(2-morphol…

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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) 2.66 5.62 -61.03 3 6 1 75 405.931 6 ↓
Hi High (pH 8-9.5) 2.66 4.26 -13.18 2 6 0 70 404.923 6 ↓
Mid Mid (pH 6-8) 3.12 3.28 -47.95 2 6 0 78 404.923 6 ↓
Lo Low (pH 4.5-6) 2.66 6.52 -50.25 3 6 1 71 405.931 6 ↓

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

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