UCSF

ZINC16895152

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 Yes

Popular Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfan (2S)-N-(1,3-benzothiazol-2-yl)-2…

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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) 7.18 12.45 -21.9 2 6 0 88 506.678 6 ↓
Mid Mid (pH 6-8) 7.18 12.7 -19.33 2 6 0 88 506.678 6 ↓
Mid Mid (pH 6-8) 7.64 11.2 -52.54 1 6 -1 91 505.67 6 ↓

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