UCSF

ZINC14768423

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 33 No

Popular Name: (2Z,4S,4aS,5aS,6R,12aR)-2-(amino-hydroxy-methylene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydrox (2Z,4S,4aS,5aS,6R,12aR)-2-(amino…

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CAS Number: 64-72-2

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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) -0.06 -0.07 -53.56 7 10 0 186 478.885 2 ↓
Ref Reference (pH 7) -0.79 -3.3 -18.74 7 10 0 182 478.885 1 ↓
Hi High (pH 8-9.5) -0.06 -1.19 -104.83 5 10 -2 187 476.869 2 ↓
Hi High (pH 8-9.5) -0.79 -2.32 -66.21 6 10 -1 184 477.877 1 ↓
Hi High (pH 8-9.5) -0.06 2.07 -173.39 5 10 -2 191 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 -1.67 -128.17 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 0.64 -123.63 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.79 -0.11 -81.29 7 10 0 186 478.885 1 ↓
Mid Mid (pH 6-8) -0.06 -2.19 -50.25 6 10 -1 184 477.877 2 ↓
Lo Low (pH 4.5-6) -0.79 -1.27 -58.36 8 10 1 183 479.893 1 ↓

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