UCSF

ZINC65494381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: (1R)-2-[(4R,5R)-5-(2H-imidazol-2-yl)-4-phenyl-imidazolidin-1-yl]-N,N-dimethyl-1-(3-methyl-2-thienyl) (1R)-2-[(4R,5R)-5-(2H-imidazol-2…

Find On: PubMed — Wikipedia — Google

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) 3.12 5.15 -28.87 3 5 1 48 382.557 6 ↓
Hi High (pH 8-9.5) 3.12 5.34 -5.41 2 5 0 47 381.549 6 ↓
Mid Mid (pH 6-8) 3.12 7.8 -93.32 4 5 2 50 383.565 6 ↓
Lo Low (pH 4.5-6) 3.12 9.21 -207.76 5 5 3 54 384.573 6 ↓

Activity (Go SEA)

Rings

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

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