UCSF

ZINC60119821

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 26 No

Popular Name: [(2R,3S)-2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic [(2R,3S)-2-(hydroxycarbamoyl)-1-…

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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) 1.54 1.6 -67.97 3 10 -1 148 384.39 5 ↓
Hi High (pH 8-9.5) 1.54 2.84 -132.98 2 10 -2 151 383.382 5 ↓
Hi High (pH 8-9.5) 1.73 0.47 -132.97 2 10 -2 154 383.382 5 ↓

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

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