UCSF

ZINC26580727

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 27 No

Popular Name: 1-methyl-5-[(2R)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-2-thioxo-hexahydropyrimidine- 1-methyl-5-[(2R)-2-phenyl-3,5-di…

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Vendors

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) 0.81 7.83 -62.7 1 5 -1 78 394.501 2 ↓
Hi High (pH 8-9.5) 3.09 10.58 -34.69 2 5 -1 73 394.501 2 ↓
Mid Mid (pH 6-8) 2.75 10.59 -9.09 2 5 0 67 395.509 1 ↓
Lo Low (pH 4.5-6) 0.81 7.78 -63.99 1 5 -1 73 394.501 2 ↓

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