UCSF

ZINC34881891

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 No

Popular Name: (2E,4R,4aS,5aR,11aS,12aR)-2-[amino(hydroxy)methylene]-11a-chloro-4-(dimethylamino)-10,12a-dihydroxy- (2E,4R,4aS,5aR,11aS,12aR)-2-[ami…

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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) -0.40 5.22 -102.38 4 9 -1 165 459.862 2 ↓
Hi High (pH 8-9.5) -0.40 4.03 -225.14 2 9 -3 167 457.846 2 ↓
Hi High (pH 8-9.5) -1.13 1.78 -61.11 4 9 -1 161 459.862 1 ↓
Hi High (pH 8-9.5) -0.40 3.11 -141.14 3 9 -2 164 458.854 2 ↓
Mid Mid (pH 6-8) -0.40 6.23 -178.18 3 9 -2 168 458.854 2 ↓
Mid Mid (pH 6-8) -1.13 2.94 -53.81 6 9 1 159 461.878 1 ↓
Mid Mid (pH 6-8) -1.13 0.79 -18.81 5 9 0 158 460.87 1 ↓
Mid Mid (pH 6-8) -0.40 5.25 -143.29 4 9 -1 165 459.862 2 ↓
Lo Low (pH 4.5-6) -0.40 4.5 -60.1 5 9 0 162 460.87 2 ↓

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