UCSF

ZINC41535702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-2-(2-furyl)-4-hydroxy-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyr (2S)-1-(2-dimethylaminoethyl)-2-…

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) 1.33 7.08 -64.24 2 7 0 94 371.437 6 ↓
Lo Low (pH 4.5-6) 1.33 6.32 -46.07 3 7 1 91 372.445 6 ↓

Activity (Go SEA)

Rings

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