UCSF

ZINC41665364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-4-methyl-9-(…

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) 3.93 6.65 -13.99 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.93 9.48 -49.47 1 7 1 66 451.543 6 ↓
Mid Mid (pH 6-8) 3.93 8.91 -48.99 1 7 1 66 451.543 6 ↓
Lo Low (pH 4.5-6) 3.93 11.76 -120.89 2 7 2 67 452.551 6 ↓

Activity (Go SEA)

Rings

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