UCSF

ZINC19997612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

Popular Name: (5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(2-piperazin-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6- (5Z)-1-[2-(4-fluorophenyl)ethyl]…

Find On: PubMed — Wikipedia — Google

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) -0.17 3.7 -49.49 4 8 1 104 390.439 7 ↓
Ref Reference (pH 7) -0.17 3.7 -49.89 4 8 1 104 390.439 7 ↓
Hi High (pH 8-9.5) -0.17 2.35 -9.59 3 8 0 99 389.431 7 ↓
Hi High (pH 8-9.5) -0.17 2.34 -9.36 3 8 0 99 389.431 7 ↓

Activity (Go SEA)

Rings

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

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