UCSF

ZINC20745278

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 Yes

Popular Name: (3S)-3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (3S)-3-[[4-methyl-5-(4-pyridyl)-…

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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) 2.69 6.53 -14.23 1 6 0 76 351.435 3 ↓
Ref Reference (pH 7) 2.50 8.71 -17.36 1 6 0 73 351.435 3 ↓

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