UCSF

ZINC36130570

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

Popular Name: N-cycloheptyl-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanamide N-cycloheptyl-3-[(3,4-dioxo-2-py…

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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) -1.66 4.05 -34.98 3 6 1 81 334.44 5 ↓
Hi High (pH 8-9.5) -1.03 2.1 -21.4 2 6 0 88 333.432 4 ↓
Mid Mid (pH 6-8) -1.03 2.38 -101.51 4 6 2 87 335.448 4 ↓

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

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