UCSF

ZINC59110879

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 35 No

Popular Name: [6-(diethylamino)-9-[2-(4,5-dihydrothiazol-2-yl)phenyl]xanthen-3-ylidene]-diethyl-ammonium [6-(diethylamino)-9-[2-(4,5-dihy…

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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) 3.44 16.06 -18.6 0 4 1 32 484.689 7 ↓
Mid Mid (pH 6-8) 3.44 16.48 -64.01 1 4 2 33 485.697 7 ↓
Lo Low (pH 4.5-6) 3.44 16.64 -34.94 2 4 0 35 486.705 7 ↓

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

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