UCSF

ZINC36118632

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,3R)-2,3-dimethylcyclohexyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl] N-[(1S,2R,3R)-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) 0.16 4.22 -40.8 3 6 1 85 410.538 4 ↓
Hi High (pH 8-9.5) 3.75 6.6 -13.14 2 6 0 82 409.53 5 ↓
Mid Mid (pH 6-8) 0.17 5.87 -110.08 4 6 2 87 411.546 4 ↓
Mid Mid (pH 6-8) 0.16 5.01 -24.58 2 6 0 88 409.53 4 ↓

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

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