UCSF

ZINC65497130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: (3S)-1-[2-[(4R)-4-[(2R)-4-methyl-2H-imidazol-2-yl]-5-phenyl-2,4-dihydroimidazol-3-yl]ethyl]piperidin (3S)-1-[2-[(4R)-4-[(2R)-4-methyl…

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) 1.41 4.27 -89.36 4 6 2 70 355.486 5 ↓
Mid Mid (pH 6-8) 1.41 3.81 -41.95 3 6 1 69 354.478 5 ↓

Activity (Go SEA)

Rings

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

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