UCSF

ZINC17862661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 29 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(5-methyl-2-furyl)pyr (4E,5S)-1-(3-dimethylaminopropyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.98 11.24 -78.69 1 6 0 78 396.487 7 ↓
Mid Mid (pH 6-8) 2.40 10.72 -45.58 1 6 1 72 397.495 7 ↓
Mid Mid (pH 6-8) 3.43 10.52 -49.62 2 6 1 75 397.495 6 ↓

Activity (Go SEA)

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