UCSF

ZINC39677983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 Yes

Popular Name: (1S)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(3-methylthiophene-2-carbonyl)-3,8-diazaspiro[4.5]dec (1S)-N-[[(2R)-4-benzylmorpholin-…

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) 2.16 6.59 -57.43 3 7 1 78 497.685 6 ↓
Lo Low (pH 4.5-6) 2.16 8.85 -113.65 4 7 2 80 498.693 6 ↓

Activity (Go SEA)

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