UCSF

ZINC67088825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 29 Yes

Popular Name: 2-[[[(1S)-isochroman-1-yl]methyl-methyl-carbamoyl]amino]-N-methyl-N-[2-(2-pyridyl)ethyl]acetamide 2-[[[(1S)-isochroman-1-yl]methyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.09 8.12 -14.6 1 7 0 75 396.491 7 ↓
Lo Low (pH 4.5-6) 2.09 8.48 -40.59 2 7 1 76 397.499 7 ↓

Activity (Go SEA)

Rings

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

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