UCSF

ZINC41663127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-8-(3-methoxypropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(4-dimethylaminophenyl)m…

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) 3.21 6.87 -10.59 0 6 0 55 394.471 6 ↓
Lo Low (pH 4.5-6) 3.21 7.62 -52.16 1 6 0 56 395.479 6 ↓
Lo Low (pH 4.5-6) 3.21 10.47 -115.55 2 6 0 58 396.487 6 ↓
Lo Low (pH 4.5-6) 3.21 9.72 -49.79 1 6 1 56 395.479 6 ↓

Activity (Go SEA)

Rings

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