UCSF

ZINC60023081

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 40 No

Popular Name: (2S)-4-[4-[(E)-C-[[(2S,3R)-2-acetoxy-1-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-4-oxo-azetid (2S)-4-[4-[(E)-C-[[(2S,3R)-2-ace…

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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) -2.79 2.11 -97.18 6 15 -1 246 557.492 13 ↓
Hi High (pH 8-9.5) -2.79 2.18 -107.13 5 15 -2 244 556.484 13 ↓
Hi High (pH 8-9.5) -2.79 3.11 -151.47 5 15 -2 248 556.484 13 ↓
Hi High (pH 8-9.5) -2.79 3.19 -172.46 4 15 -3 247 555.476 13 ↓

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

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