UCSF

ZINC19453617

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 Yes

Popular Name: 5-[(2-isopropyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-2-methoxy-pheno 5-[(2-isopropyl-4-pyrrolidin-1-y…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.75 8.71 -115.22 3 6 2 64 384.524 5 ↓
Hi High (pH 8-9.5) 2.75 5.97 -12.87 1 6 0 62 382.508 5 ↓
Hi High (pH 8-9.5) 2.75 6.32 -32.43 2 6 1 63 383.516 5 ↓
Mid Mid (pH 6-8) 2.75 8.36 -54.95 2 6 1 63 383.516 5 ↓

Activity (Go SEA)

Rings

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