UCSF

ZINC20442914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-propoxyphenyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-1-(3-dimethylaminopropyl)-3…

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) 2.32 9.98 -74.56 1 7 0 87 423.513 10 ↓
Lo Low (pH 4.5-6) 2.32 9.16 -53.77 2 7 1 84 424.521 10 ↓

Activity (Go SEA)

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