UCSF

ZINC63237045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 37 Yes

Popular Name: (3S)-N-[(2R)-2-(4-dimethylaminophenyl)-2-(2H-indol-3-yl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3- (3S)-N-[(2R)-2-(4-dimethylaminop…

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) 4.83 12.53 -44.8 2 6 1 67 495.647 8 ↓
Lo Low (pH 4.5-6) 4.83 13.32 -51.57 3 6 0 68 496.655 8 ↓

Activity (Go SEA)

Rings

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

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