UCSF

ZINC41544751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 35 No

Popular Name: (2S)-3-(1,3-benzodioxole-5-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(1,3-benzodioxole-5-carbo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.35 8.72 -73.73 1 9 0 102 480.517 8 ↓
Lo Low (pH 4.5-6) 2.35 7.97 -59.2 2 9 1 99 481.525 8 ↓

Activity (Go SEA)

Rings

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