UCSF

ZINC18244369

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 26 No

Popular Name: 2-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxyethyl)amino]methylene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-4-{[(2…

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Other Names:

MFCD01243977

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) 2.83 6.14 -27.43 2 6 0 80 364.43 5 ↓
Ref Reference (pH 7) 2.83 6.24 -25.42 2 6 0 80 364.43 5 ↓
Ref Reference (pH 7) 2.89 5.27 -20.32 2 6 0 83 364.43 5 ↓
Hi High (pH 8-9.5) 3.35 3.56 -14.79 2 6 0 84 364.43 5 ↓
Mid Mid (pH 6-8) 2.89 6.27 -37.6 3 6 1 85 365.438 5 ↓
Mid Mid (pH 6-8) 2.89 5.84 -36.57 3 6 1 85 365.438 5 ↓

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