UCSF

ZINC36130678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 Yes

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanam N-[(1R,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) -1.05 2.18 -33.05 3 6 1 85 348.467 4 ↓
Hi High (pH 8-9.5) -1.05 2.97 -21.02 2 6 0 88 347.459 4 ↓
Mid Mid (pH 6-8) -1.05 3.24 -101.75 4 6 2 87 349.475 4 ↓

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

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