UCSF

ZINC35622413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 Yes

Popular Name: 4-hydroxy-5-[(2R)-2-(4-pyridyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-3H-1,3-thiazine-2,6-dione 4-hydroxy-5-[(2R)-2-(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) 1.74 2.11 -37.12 2 7 -1 110 365.394 2 ↓
Mid Mid (pH 6-8) 2.19 -0.8 -111.21 1 7 -2 113 364.386 2 ↓
Lo Low (pH 4.5-6) 1.22 3 -8.27 3 7 0 104 366.402 1 ↓
Lo Low (pH 4.5-6) 1.74 2.57 -34.93 3 7 0 112 366.402 2 ↓
Lo Low (pH 4.5-6) 1.74 1.48 -88.67 5 7 2 110 368.418 2 ↓

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