UCSF

ZINC03590807

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 28 Yes

Popular Name: 1,1'-(3,9-Fluoranthenediyl)bis(2-(dimethylamino)ethanone) dihydrochloride hydrate; Ethanone, 1,1'-(3,9-fluoranthenediyl)bis(2-(dimethylamino)-, dihydrochloride, hydrate; LS-67433; RMI 11645 DA 1,1'-(3,9-Fluoranthenediyl)bis(2…

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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) 3.86 14.29 -91.97 2 4 2 43 374.484 6 ↓
Hi High (pH 8-9.5) 3.86 11.83 -50.9 1 4 1 42 373.476 6 ↓
Hi High (pH 8-9.5) 3.86 11.83 -50.62 1 4 1 42 373.476 6 ↓
Hi High (pH 8-9.5) 3.86 9.36 -14.45 0 4 0 41 372.468 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.