UCSF

ZINC35947026

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 32 No

Popular Name: (2Z,4R,4aS,5aR,6S,12aR)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-met (2Z,4R,4aS,5aR,6S,12aR)-2-[amino…

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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) -2.01 1.34 -49.97 6 10 0 182 444.44 1 ↓
Hi High (pH 8-9.5) -2.01 0.91 -136.58 4 10 -2 184 442.424 1 ↓
Hi High (pH 8-9.5) -2.01 1.98 -118.21 5 10 -1 185 443.432 1 ↓
Hi High (pH 8-9.5) -1.27 0.75 -116.23 4 10 0 184 442.424 2 ↓
Hi High (pH 8-9.5) -1.27 2.27 -92.13 5 10 0 185 443.432 2 ↓
Hi High (pH 8-9.5) -1.27 -0.26 -30.21 5 10 0 181 443.432 2 ↓
Mid Mid (pH 6-8) -2.01 -0.1 -68.15 5 10 -1 181 443.432 1 ↓
Mid Mid (pH 6-8) -1.42 -0.3 -73.87 7 10 0 186 444.44 1 ↓
Lo Low (pH 4.5-6) -1.27 -1.1 -44.7 7 10 0 180 445.448 2 ↓

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