UCSF

ZINC36118840

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 Yes

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

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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) 0.65 6.88 -35.43 3 6 1 85 438.592 7 ↓
Hi High (pH 8-9.5) 4.23 8.87 -15.83 2 6 0 82 437.584 8 ↓
Mid Mid (pH 6-8) 0.65 7.08 -28.68 2 6 0 88 437.584 7 ↓
Mid Mid (pH 6-8) 0.65 7.77 -94.01 4 6 2 87 439.6 7 ↓
Mid Mid (pH 6-8) 0.65 7.67 -22.54 2 6 0 88 437.584 7 ↓

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

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