UCSF

ZINC59211402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 27 No

Popular Name: (2R)-1-[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-[(2S,3S)-3-methylsulfanyl-4-oxo-azetidine-2-ca (2R)-1-[(2R)-2-amino-3-(1H-imida…

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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) -5.17 -3.78 -57.43 5 10 0 167 394.457 6 ↓
Hi High (pH 8-9.5) -5.06 -5.59 -82.02 4 10 -1 171 393.449 6 ↓
Mid Mid (pH 6-8) -5.17 -3.27 -94.07 6 10 1 169 395.465 6 ↓
Lo Low (pH 4.5-6) -5.22 -0.1 -100.76 7 10 2 162 396.473 6 ↓

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

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