UCSF

ZINC02490598

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 No

Popular Name: 4-{[(4-fluorobenzyl)imino]methyl}-2-{4-nitrophenyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one 4-{[(4-fluorobenzyl)imino]methyl…

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Other Names:

MFCD01240201

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) 3.53 8.99 -15.9 1 7 0 96 408.311 6 ↓
Ref Reference (pH 7) 3.53 8.46 -13.77 1 7 0 96 408.311 6 ↓
Ref Reference (pH 7) 3.47 10.21 -14.98 1 7 0 93 408.311 6 ↓
Mid Mid (pH 6-8) 3.53 10 -48.42 2 7 1 98 409.319 6 ↓
Mid Mid (pH 6-8) 3.98 7.26 -8.95 1 7 0 96 408.311 6 ↓
Mid Mid (pH 6-8) 3.53 9.5 -46.13 2 7 1 98 409.319 6 ↓

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