UCSF

ZINC36118822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl] N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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) 0.36 5.91 -33.72 3 6 1 85 416.586 4 ↓
Mid Mid (pH 6-8) 0.36 6.76 -98.4 4 6 2 87 417.594 4 ↓
Mid Mid (pH 6-8) 0.36 6.7 -20.61 2 6 0 88 415.578 4 ↓
Mid Mid (pH 6-8) 0.36 6.12 -26.55 2 6 0 88 415.578 4 ↓

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Rings

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

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