UCSF

ZINC65534625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: 2-amino-4-{3-nitro-2,4,6-trimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-{3-nitro-2,4,6-trimeth…

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Other Names:

MFCD01049114

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) 2.06 4.46 -44.67 2 4 1 42 278.42 7 ↓
Lo Low (pH 4.5-6) 2.06 4.91 -97.45 3 4 2 43 279.428 7 ↓

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

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