UCSF

ZINC49564766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 No

Popular Name: (3S)-3-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1R,8R)-2,3,5,6,7,8-hex…

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) 0.31 6.01 -122.11 3 5 2 58 267.373 4 ↓
Hi High (pH 8-9.5) 0.31 5.22 -40.73 2 5 1 54 266.365 4 ↓
Hi High (pH 8-9.5) 0.31 2.72 -8.44 1 5 0 53 265.357 4 ↓

Activity (Go SEA)

Rings

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

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