UCSF

ZINC08440773

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Popular Name: 2-amino-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-[4-(mesitylmethoxy)-3-…

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Other Names:

MFCD02604983

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 6.14 3.67 -15 1 6 0 113 478.596 5 ↓
Ref Reference (pH 7) 6.14 12.84 -15.07 1 6 0 114 478.596 5 ↓
Mid Mid (pH 6-8) 6.14 3.48 -44.82 2 6 1 115 479.604 5 ↓

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