UCSF

ZINC17122624

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 28 No

Popular Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-{N-[3-(4-morpholinyl)propyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-5-meth…

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Other Names:

MFCD01950457

Download: MOL2 SDF SMILES Flexibase

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) 2.67 5.41 -30.41 1 7 0 76 399.52 6 ↓
Mid Mid (pH 6-8) 3.12 5.73 -45.82 2 7 1 77 400.528 6 ↓
Mid Mid (pH 6-8) 3.12 5.67 -41.9 2 7 1 77 400.528 6 ↓
Mid Mid (pH 6-8) 3.12 3.47 -12.61 1 7 0 76 399.52 6 ↓
Mid Mid (pH 6-8) 2.67 7.64 -43.24 2 7 1 77 400.528 6 ↓
Mid Mid (pH 6-8) 2.67 5.37 -23.53 1 7 0 76 399.52 6 ↓
Mid Mid (pH 6-8) 2.60 8.7 -73.75 2 7 1 73 400.528 6 ↓
Mid Mid (pH 6-8) 3.12 6.46 -52.49 1 7 0 80 399.52 6 ↓
Mid Mid (pH 6-8) 3.12 4.2 -56.64 0 7 -1 79 398.512 6 ↓
Mid Mid (pH 6-8) 2.60 8.47 -65.67 2 7 1 73 400.528 6 ↓

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