UCSF

ZINC36132428

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Popular Name: (1S,6S)-6-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[[2-(cyclopropylamino)…

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Download: MOL2 SDF SMILES Flexibase

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) 0.55 6.57 -68.09 1 6 -1 90 279.316 5 ↓
Lo Low (pH 4.5-6) 0.55 4.54 -18.89 2 6 0 87 280.324 5 ↓

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

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