UCSF

ZINC13425248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

Popular Name: (5R,7S)-5-(3-methoxyphenyl)-N-(3-morpholinopropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1, (5R,7S)-5-(3-methoxyphenyl)-N-(3…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.29 4.97 -13.05 2 8 0 81 467.492 8 ↓
Mid Mid (pH 6-8) 2.47 4.84 -12.56 2 8 0 84 467.492 8 ↓
Mid Mid (pH 6-8) 2.47 7.84 -92.74 4 8 2 87 469.508 8 ↓
Mid Mid (pH 6-8) 2.29 7.25 -48.74 3 8 1 82 468.5 8 ↓

Activity (Go SEA)

Rings

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

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