UCSF

ZINC41532894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2S)-2-(3,4-dichlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-py (2S)-2-(3,4-dichlorophenyl)-3-[(…

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) 4.05 12.53 -64.97 1 6 0 78 475.372 7 ↓
Lo Low (pH 4.5-6) 4.05 11.65 -47.81 2 6 1 75 476.38 7 ↓

Activity (Go SEA)

Rings

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