UCSF

ZINC58344980

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

Popular Name: (1S)-1-(4-fluorophenyl)-N'-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]-N,N-dimethyl-ethane-1,2-dia (1S)-1-(4-fluorophenyl)-N'-[(5-m…

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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) 2.05 7.34 -39.88 2 5 1 44 321.42 7 ↓
Hi High (pH 8-9.5) 2.05 4.99 -6.58 1 5 0 42 320.412 7 ↓
Mid Mid (pH 6-8) 2.05 7.24 -124.59 3 5 2 48 322.428 7 ↓
Lo Low (pH 4.5-6) 2.05 4.87 -45.69 2 5 1 47 321.42 7 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.