UCSF

ZINC52536800

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 26 No

Popular Name: 2-[[[1-[(4-chlorophenyl)methyl]-4-piperidyl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione 2-[[[1-[(4-chlorophenyl)methyl]-…

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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) 3.53 8.7 -41.14 0 4 -1 56 373.904 4 ↓
Mid Mid (pH 6-8) 2.61 9.18 -10.07 1 4 0 49 374.912 4 ↓
Lo Low (pH 4.5-6) 3.53 10.94 -52.11 1 4 0 57 374.912 4 ↓

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

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