UCSF

ZINC14879976

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Substance Information

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

Popular Name: (2Z,4R,4aS,5aR,6S,12aR)-2-(amino-hydroxy-methylene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methy (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) -0.69 -1.71 -53.94 6 10 -1 184 443.432 2 ↓
Hi High (pH 8-9.5) -0.69 -0.72 -109.04 5 10 -2 187 442.424 2 ↓
Hi High (pH 8-9.5) -1.27 -1.39 -70.36 5 10 -1 181 443.432 2 ↓
Hi High (pH 8-9.5) -1.27 -0.62 -139.28 4 10 -2 184 442.424 2 ↓
Mid Mid (pH 6-8) -1.27 0.48 -140.94 5 10 -1 185 443.432 2 ↓
Mid Mid (pH 6-8) -1.27 -0.3 -84.01 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -2.01 -0.34 -60.91 7 10 1 180 445.448 1 ↓
Mid Mid (pH 6-8) -0.69 -0.02 -49.65 7 10 0 186 444.44 2 ↓
Mid Mid (pH 6-8) -1.42 -1.22 -49.49 8 10 1 183 445.448 1 ↓
Lo Low (pH 4.5-6) -1.42 -2.58 -19.1 7 10 0 182 444.44 1 ↓

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