UCSF

ZINC60119924

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 30 No

Popular Name: (2R,3R)-1-(4-methoxyphenyl)sulfonyl-3-(phenylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carbohydrox (2R,3R)-1-(4-methoxyphenyl)sulfo…

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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) 3.16 6.37 -21.73 2 7 0 96 448.566 7 ↓
Hi High (pH 8-9.5) 3.16 7.57 -66.36 1 7 -1 99 447.558 7 ↓
Hi High (pH 8-9.5) 3.35 4.41 -60.07 1 7 -1 102 447.558 7 ↓

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

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