UCSF

ZINC19582491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 32 Yes

Popular Name: N'-[6-[(4-methoxyphenyl)methyl]-2-(4-pyridyl)-7,8-dihydro-5H-pyrido[3,4-e]pyrimidin-4-yl]-N,N,N'-tri N'-[6-[(4-methoxyphenyl)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) 2.78 11.9 -108.7 2 7 2 60 434.588 8 ↓
Hi High (pH 8-9.5) 2.78 9.55 -45.4 1 7 1 59 433.58 8 ↓
Hi High (pH 8-9.5) 2.78 7.01 -8.71 0 7 0 58 432.572 8 ↓

Activity (Go SEA)

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