UCSF

ZINC16672092

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 35 No

Popular Name: 4-[(Z)-3-morpholinopropyliminomethyl]-2,5-bis(4-nitrophenyl)-1H-pyrazol-3-one 4-[(Z)-3-morpholinopropyliminome…

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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) 2.61 9.11 -61.14 2 12 1 156 481.489 9 ↓
Mid Mid (pH 6-8) 2.61 11.37 -130.57 3 12 2 157 482.497 9 ↓
Mid Mid (pH 6-8) 2.61 8.54 -24.35 1 12 0 154 480.481 9 ↓
Mid Mid (pH 6-8) 2.61 10.8 -54.97 2 12 1 155 481.489 9 ↓
Mid Mid (pH 6-8) 2.61 11.81 -123.83 3 12 2 157 482.497 9 ↓
Mid Mid (pH 6-8) 2.61 10.35 -55.19 2 12 1 155 481.489 9 ↓
Mid Mid (pH 6-8) 2.61 8.08 -21.33 1 12 0 154 480.481 9 ↓

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