UCSF

ZINC02082109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 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

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) 3.98 10.87 -17.39 2 10 0 170 483.532 5 ↓
Lo Low (pH 4.5-6) 3.98 10.7 -60.16 3 10 1 172 484.54 5 ↓

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

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