UCSF

ZINC67514969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (5R)-7-[(2,3-dimethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-3,7-diazaspiro[4.5]decane (5R)-7-[(2,3-dimethoxyphenyl)met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.97 8.5 -38.99 1 6 1 44 385.532 6 ↓
Hi High (pH 8-9.5) 1.97 6.41 -10.24 0 6 0 43 384.524 6 ↓
Mid Mid (pH 6-8) 1.97 8.93 -43.4 1 6 1 44 385.532 6 ↓
Lo Low (pH 4.5-6) 1.97 11.02 -106.41 2 6 2 45 386.54 6 ↓

Activity (Go SEA)

Rings

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

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