UCSF

ZINC38657252

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 No

Popular Name: (4S,4aR,5aR,12aS)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H (4S,4aR,5aR,12aS)-4,7-bis(dimeth…

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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) -1.54 4.8 -55.47 5 10 0 165 457.483 2 ↓
Hi High (pH 8-9.5) -1.54 4.16 -27.18 4 10 0 164 456.475 2 ↓
Hi High (pH 8-9.5) -1.54 5.44 -132.69 3 10 -2 167 455.467 2 ↓
Hi High (pH 8-9.5) -1.54 5.8 -96.4 4 10 -1 168 456.475 2 ↓
Hi High (pH 8-9.5) -1.54 5.16 -106.55 3 10 0 167 455.467 2 ↓
Hi High (pH 8-9.5) -1.54 4.45 -65.26 4 10 -1 164 456.475 2 ↓
Mid Mid (pH 6-8) -1.54 4.09 -44.66 6 10 1 163 458.491 2 ↓
Mid Mid (pH 6-8) -0.23 4.39 -74 5 10 -1 171 456.475 3 ↓
Mid Mid (pH 6-8) -0.81 4.69 -60.72 5 10 0 165 457.483 3 ↓
Mid Mid (pH 6-8) -0.81 5.44 -90.45 4 10 -1 168 456.475 3 ↓

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