UCSF

ZINC19453687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(3,4-dimethoxyphenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.50 6.88 -32.76 1 7 1 61 413.542 6 ↓
Hi High (pH 8-9.5) 2.50 6.53 -11.02 0 7 0 60 412.534 6 ↓
Mid Mid (pH 6-8) 2.50 9.26 -117.5 2 7 2 62 414.55 6 ↓
Lo Low (pH 4.5-6) 2.50 8.91 -54.36 1 7 1 61 413.542 6 ↓

Activity (Go SEA)

Rings

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

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