UCSF

ZINC36130609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 Yes

Popular Name: 3-[[3-(4-methyl-1-piperidyl)-3-oxo-propyl]amino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione 3-[[3-(4-methyl-1-piperidyl)-3-o…

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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) -2.04 1.93 -33.63 2 6 1 76 320.413 3 ↓
Hi High (pH 8-9.5) -2.04 2.72 -21.09 1 6 0 79 319.405 3 ↓
Mid Mid (pH 6-8) -2.04 2.99 -103.19 3 6 2 78 321.421 3 ↓

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

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