UCSF

ZINC13719778

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (4S,4aR,5aS,6R,12aS)-7-chloro-4-dimethylamino-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrah (4S,4aR,5aS,6R,12aS)-7-chloro-4-…

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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) -0.64 -0.39 -51.78 6 10 -1 184 463.85 2 ↓
Hi High (pH 8-9.5) -0.20 1.7 -223.68 4 10 -3 190 461.834 2 ↓
Hi High (pH 8-9.5) -0.64 0.63 -110.06 5 10 -2 187 462.842 2 ↓
Hi High (pH 8-9.5) -1.38 -1.81 -146.03 5 10 -2 187 462.842 1 ↓
Hi High (pH 8-9.5) -0.20 -1.06 -116.5 5 10 -2 187 462.842 2 ↓
Hi High (pH 8-9.5) -0.20 -1.02 -68.36 6 10 -1 188 463.85 2 ↓
Mid Mid (pH 6-8) -1.38 -0.55 -74.54 7 10 0 186 464.858 1 ↓
Mid Mid (pH 6-8) -1.23 -1.02 -48.85 6 10 0 182 464.858 2 ↓
Mid Mid (pH 6-8) -0.64 -0.27 -45.32 7 10 0 186 464.858 2 ↓
Mid Mid (pH 6-8) -1.23 -0.23 -85.56 5 10 -1 185 463.85 2 ↓
Mid Mid (pH 6-8) -0.20 -2.64 -62.53 8 10 1 183 465.866 2 ↓

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