UCSF

ZINC16121505

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 32 No

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

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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
Hi High (pH 8-9.5) -0.69 -1.68 -144.15 5 10 -2 187 442.424 2 ↓
Mid Mid (pH 6-8) -0.69 0.33 -134.16 6 10 -1 188 443.432 2 ↓
Lo Low (pH 4.5-6) -1.42 -0.74 -18.84 7 10 0 182 444.44 1 ↓
Lo Low (pH 4.5-6) -1.42 -0.43 -36.76 8 10 1 183 445.448 1 ↓

Activity (Go SEA)

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