UCSF

ZINC14879980

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 32 No

Popular Name: (2Z,4R,4aR,5aR,6S,12aR)-2-(amino-hydroxy-methylene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methy (2Z,4R,4aR,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) -0.69 -2.51 -53.57 6 10 -1 184 443.432 2 ↓
Hi High (pH 8-9.5) -0.69 -1.51 -108.98 5 10 -2 187 442.424 2 ↓
Hi High (pH 8-9.5) -1.27 -2.39 -63.02 5 10 -1 181 443.432 2 ↓
Hi High (pH 8-9.5) -1.27 -1.61 -130.78 4 10 -2 184 442.424 2 ↓
Mid Mid (pH 6-8) -1.27 -0.39 -130.39 5 10 -1 185 443.432 2 ↓
Mid Mid (pH 6-8) -1.27 -1.17 -75.09 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -2.01 -1.16 -63.29 7 10 1 180 445.448 1 ↓
Mid Mid (pH 6-8) -0.69 -0.52 -49.61 7 10 0 186 444.44 2 ↓
Mid Mid (pH 6-8) -1.42 -1.98 -50.63 8 10 1 183 445.448 1 ↓
Lo Low (pH 4.5-6) -1.42 -2.85 -18.67 7 10 0 182 444.44 1 ↓

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