UCSF

ZINC19990064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Popular Name: 5-({[3-(diethylamino)propyl]amino}methylene)-1-(2,5-dimethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-({[3-(diethylamino)propyl]amin…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03861650

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) 1.67 8.1 -52.86 3 8 1 90 421.543 10 ↓
Ref Reference (pH 7) 1.67 8.1 -53.33 3 8 1 90 421.543 10 ↓
Hi High (pH 8-9.5) 1.67 5.98 -15.79 2 8 0 89 420.535 10 ↓
Hi High (pH 8-9.5) 1.67 5.99 -15.81 2 8 0 89 420.535 10 ↓

Activity (Go SEA)

Rings

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

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