UCSF

ZINC63270153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 29 No

Popular Name: (3S)-3-[(4aR)-1,3,4,4a-tetrahydropyrido[4,3-b]indol-2-yl]-1-(4-acetylphenyl)pyrrolidine-2,5-dione (3S)-3-[(4aR)-1,3,4,4a-tetrahydr…

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) 1.93 7.76 -42.51 1 6 1 72 388.447 3 ↓
Mid Mid (pH 6-8) 1.93 9.87 -125.94 2 6 2 73 389.455 3 ↓

Activity (Go SEA)

Rings

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

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