UCSF

ZINC62993099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 33 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(2-furylmethyl)-4-methyl-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) 4.73 10.78 -50.35 1 6 0 60 445.539 6 ↓
Mid Mid (pH 6-8) 4.73 10.67 -11.03 0 6 0 59 444.531 6 ↓
Lo Low (pH 4.5-6) 4.73 13.62 -106.4 2 6 0 61 446.547 6 ↓

Activity (Go SEA)

Rings

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

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