UCSF

ZINC19989886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 No

Popular Name: 5-({[2-(diethylamino)ethyl]amino}methylene)-1-(2-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-({[2-(diethylamino)ethyl]amino…

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Other Names:

MFCD01241442

Download: MOL2 SDF SMILES Flexibase

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) 1.16 8.03 -54.39 3 7 1 81 377.49 8 ↓
Hi High (pH 8-9.5) 1.16 5.88 -13.29 2 7 0 79 376.482 8 ↓
Hi High (pH 8-9.5) 1.16 5.89 -13.38 2 7 0 79 376.482 8 ↓

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

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