UCSF

ZINC13282401

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 27 No

Popular Name: 5,5-dimethyl-2-(1-{[2-(4-pentanoyl-1-piperazinyl)ethyl]amino}ethylidene)-1,3-cyclohexanedione 5,5-dimethyl-2-(1-{[2-(4-pentano…

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Other Names:

MFCD01928991

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) 2.66 6.65 -42.73 0 6 -1 76 376.521 7 ↓
Mid Mid (pH 6-8) 2.08 7.4 -45.68 1 6 1 71 378.537 7 ↓
Mid Mid (pH 6-8) 2.66 8.95 -46.07 1 6 0 77 377.529 7 ↓

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

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