UCSF

ZINC65508503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 29 Yes

Popular Name: 4-[4-[(4S,5S)-3-[(3-methyl-1H-pyrazol-5-yl)methyl]-5-phenyl-imidazolidin-4-yl]phenyl]but-3-yn-1-ol 4-[4-[(4S,5S)-3-[(3-methyl-1H-py…

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) 3.22 8.83 -139.5 5 5 2 70 388.515 5 ↓
Hi High (pH 8-9.5) 3.22 5.37 -10.27 3 5 0 64 386.499 5 ↓
Mid Mid (pH 6-8) 3.22 7.62 -38.98 4 5 1 65 387.507 5 ↓

Activity (Go SEA)

Rings

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

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