UCSF

ZINC65505156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 No

Popular Name: (4R)-4-[(4S,5S)-3-[2-[(3R)-3,5-dimethyl-3H-pyrazol-4-yl]ethyl]-5-phenyl-imidazolidin-4-yl]-2-ethyl-5 (4R)-4-[(4S,5S)-3-[2-[(3R)-3,5-d…

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) 3.52 4.93 -32.75 3 6 1 70 379.532 6 ↓
Hi High (pH 8-9.5) 3.52 4.41 -9.66 2 6 0 69 378.524 6 ↓
Mid Mid (pH 6-8) 3.52 7.2 -114.63 4 6 2 71 380.54 6 ↓

Activity (Go SEA)

Rings

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

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