UCSF

ZINC49564700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: (1R,8aR)-N-[(3S)-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amin (1R,8aR)-N-[(3S)-1,1-dioxo-2,3-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) 1.85 5.87 -133.23 3 4 2 55 308.447 2 ↓
Hi High (pH 8-9.5) 1.85 2.17 -14.45 1 4 0 49 306.431 2 ↓
Mid Mid (pH 6-8) 1.85 4.42 -46.46 2 4 1 51 307.439 2 ↓

Activity (Go SEA)

Rings

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

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