UCSF

ZINC41584583

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-6-hydroxy-4-methyl-2-(4-pyridylmethylene)-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran- (2Z)-6-hydroxy-4-methyl-2-(4-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) 3.27 10.01 -40.75 2 6 1 81 428.512 4 ↓
Hi High (pH 8-9.5) 3.27 8.8 -45.01 0 6 -1 82 426.496 4 ↓
Mid Mid (pH 6-8) 3.27 10.79 -33.13 1 6 0 83 427.504 4 ↓
Mid Mid (pH 6-8) 3.27 8.03 -9.27 1 6 0 79 427.504 4 ↓
Lo Low (pH 4.5-6) 3.27 10.49 -101.89 3 6 2 82 429.52 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.