UCSF

ZINC41532966

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 No

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(3-pyridyl)-2H-pyrrol-5-on (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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) 1.53 10.21 -72.33 1 7 0 91 407.47 7 ↓
Lo Low (pH 4.5-6) 1.53 9.33 -50.56 2 7 1 88 408.478 7 ↓

Activity (Go SEA)

Rings

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