UCSF

ZINC18217747

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 15 No

Popular Name: 1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one 1-phenyl-3-propyl-4,5-dihydro-1H…

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CAS Number: 29211-43-6

Other Names:

MFCD00828722

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) 2.84 6.8 -10.42 0 3 0 33 202.257 3 ↓
Mid Mid (pH 6-8) 2.86 4.55 -7.17 1 3 0 38 202.257 3 ↓

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