UCSF

ZINC18038425

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 No

Popular Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl)-5-methyl-4H-pyra (4S)-2-(1,3-benzothiazol-2-yl)-4…

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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) 2.47 10.02 -52.81 2 7 1 82 381.485 6 ↓
Ref Reference (pH 7) 2.93 8.02 -38.72 2 7 1 82 381.485 6 ↓
Mid Mid (pH 6-8) 2.93 8.08 -42.25 2 7 1 82 381.485 6 ↓
Mid Mid (pH 6-8) 2.93 7.5 -14.74 1 7 0 81 380.477 6 ↓
Mid Mid (pH 6-8) 2.47 9.48 -26.42 1 7 0 81 380.477 6 ↓
Mid Mid (pH 6-8) 2.47 9.51 -34.98 1 7 0 81 380.477 6 ↓
Mid Mid (pH 6-8) 2.47 9.99 -43.77 2 7 1 82 381.485 6 ↓
Mid Mid (pH 6-8) 2.93 8.28 -43.71 1 7 0 85 380.477 6 ↓
Mid Mid (pH 6-8) 2.93 7.76 -44.3 0 7 -1 84 379.469 6 ↓
Mid Mid (pH 6-8) 2.70 11.17 -104.61 2 7 2 79 382.493 6 ↓
Mid Mid (pH 6-8) 2.93 7.57 -17.45 1 7 0 81 380.477 6 ↓

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