UCSF

ZINC22862432

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 No

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

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Other Names:

MFCD01952078

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) 1.78 5.71 -67.32 3 7 1 80 385.517 5 ↓
Ref Reference (pH 7) 1.85 4.67 -63.8 3 7 1 83 385.517 5 ↓
Hi High (pH 8-9.5) 1.78 4.1 -26.7 2 7 0 75 384.509 5 ↓
Hi High (pH 8-9.5) 1.78 4.34 -24.55 2 7 0 75 384.509 5 ↓
Mid Mid (pH 6-8) 2.30 3.46 -63.75 2 7 0 86 384.509 5 ↓
Mid Mid (pH 6-8) 1.85 4.69 -48.71 3 7 1 83 385.517 5 ↓

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