UCSF

ZINC41584643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

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

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) 4.01 10.47 -47.43 2 8 1 95 503.575 7 ↓
Hi High (pH 8-9.5) 4.01 9.1 -46.39 0 8 -1 97 501.559 7 ↓
Mid Mid (pH 6-8) 4.01 8.34 -11.7 1 8 0 94 502.567 7 ↓
Mid Mid (pH 6-8) 4.01 11.24 -38.81 1 8 0 98 502.567 7 ↓

Activity (Go SEA)

Rings

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