UCSF

ZINC18009992

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 26 No

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

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Other Names:

MFCD01942807

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) 3.14 5.29 -13.54 1 6 0 76 363.446 4 ↓
Mid Mid (pH 6-8) 3.14 5.73 -48.53 0 6 -1 79 362.438 4 ↓
Mid Mid (pH 6-8) 2.68 7.28 -22.04 1 6 0 76 363.446 4 ↓
Mid Mid (pH 6-8) 3.14 5.42 -13.67 1 6 0 76 363.446 4 ↓
Lo Low (pH 4.5-6) 2.62 8.63 -59.85 2 6 1 74 364.454 4 ↓
Lo Low (pH 4.5-6) 2.62 8.87 -68.19 2 6 1 74 364.454 4 ↓

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