UCSF

ZINC04169916

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 21 No

Popular Name: 2-[(2,3-dihydro-1H-inden-5-ylamino)methylene]-5,5-dimethyl-1,3-cyclohexanedione 2-[(2,3-dihydro-1H-inden-5-ylami…

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Other Names:

MFCD01309031

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) 3.15 9.37 -44.48 0 3 -1 52 282.363 2 ↓
Mid Mid (pH 6-8) 2.23 8.35 -43.09 2 3 1 49 284.379 2 ↓
Lo Low (pH 4.5-6) 3.15 7.84 -16.06 1 3 0 50 283.371 2 ↓

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

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