UCSF

ZINC65500587

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: (3S)-3-[[(4R,5S)-4-phenyl-5-[(3S)-tetrahydrofuran-3-yl]imidazolidin-1-yl]methyl]-3,4,5,6-tetrahydroc (3S)-3-[[(4R,5S)-4-phenyl-5-[(3S…

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) 2.99 5.26 -42.87 2 5 1 50 339.463 4 ↓
Hi High (pH 8-9.5) 2.99 2.91 -7.65 1 5 0 49 338.455 4 ↓
Lo Low (pH 4.5-6) 2.99 6.38 -144.2 3 5 2 55 340.471 4 ↓

Activity (Go SEA)

Rings

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

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