UCSF

ZINC41584590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]-2-[(2,3,4-trimethoxyphenyl)methyl (2Z)-6-hydroxy-4-methyl-7-[[(2S)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.39 11.08 -45.97 2 8 1 95 517.602 7 ↓
Hi High (pH 8-9.5) 4.39 9.03 -11.51 1 8 0 94 516.594 7 ↓
Mid Mid (pH 6-8) 4.39 11.84 -37.42 1 8 0 98 516.594 7 ↓

Activity (Go SEA)

Rings

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