UCSF

ZINC08397193

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 36 No

Popular Name: 2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-[3-({4-nitro-3,5-dimet…

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Other Names:

MFCD01450855

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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) 4.06 3.34 -19.33 0 1 0 168 483.532 10 ↓
Mid Mid (pH 6-8) 4.06 3.18 -51.92 2 10 1 169 484.54 5 ↓

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