UCSF

ZINC02052515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 26 No

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

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03861653

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.68 -3.86 -39.44 2 6 1 66 395.936 8 ↓
Mid Mid (pH 6-8) 2.68 -2.87 -104.16 3 6 2 67 396.944 8 ↓

Activity (Go SEA)

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

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