UCSF

ZINC59816422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 Yes

Popular Name: 2-[(2S,5S)-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-5-isobutyl-3,6-dioxo-piperazin-2-yl]acetic 2-[(2S,5S)-1-[3-(4-hydroxy-3-met…

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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) 1.44 6.63 -52.31 2 8 -1 119 391.444 9 ↓
Lo Low (pH 4.5-6) 1.44 4.65 -16.36 3 8 0 116 392.452 9 ↓

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Rings

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

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