UCSF

ZINC62993071

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 35 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(p-tolylmethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[[4-(diethylamino)phenyl]…

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) 5.93 13.28 -48.8 1 5 0 47 469.605 6 ↓
Mid Mid (pH 6-8) 5.93 13.17 -9.43 0 5 0 46 468.597 6 ↓
Lo Low (pH 4.5-6) 5.93 16.14 -105.76 2 5 0 48 470.613 6 ↓

Activity (Go SEA)

Rings

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

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