UCSF

ZINC19453697

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[4-[(2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenyl]acetamide N-[4-[(2-isopropyl-4-morpholino-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.08 6.27 -36.35 2 7 1 72 410.542 5 ↓
Hi High (pH 8-9.5) 2.08 5.91 -15.66 1 7 0 71 409.534 5 ↓
Mid Mid (pH 6-8) 2.08 8.65 -119.89 3 7 2 73 411.55 5 ↓
Lo Low (pH 4.5-6) 2.08 8.29 -56.39 2 7 1 72 410.542 5 ↓

Activity (Go SEA)

Rings

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

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