UCSF

ZINC19868823

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

Popular Name: (4S,4aR,12aR)-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene (4S,4aR,12aR)-4-dimethylamino-3,…

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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) 0.13 -0.04 -53.44 5 9 -1 164 425.417 2 ↓
Hi High (pH 8-9.5) 0.13 3.78 -173.25 4 9 -2 171 424.409 2 ↓
Hi High (pH 8-9.5) 0.13 0.51 -109.48 4 9 -2 167 424.409 2 ↓
Hi High (pH 8-9.5) 0.13 1.06 -127.15 4 9 -2 167 424.409 2 ↓
Mid Mid (pH 6-8) 0.13 2.69 -93.93 5 9 -1 168 425.417 2 ↓
Mid Mid (pH 6-8) 0.13 -0.58 -48.77 5 9 -1 164 425.417 2 ↓
Mid Mid (pH 6-8) 0.13 1.97 -48.13 6 9 0 165 426.425 2 ↓
Mid Mid (pH 6-8) 0.13 2.17 -65.93 6 9 0 165 426.425 2 ↓

Activity (Go SEA)

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