UCSF

ZINC67431946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: N-[(1S)-1-methyl-2-(3-methyl-2-pyridyl)ethyl]-2-(3-pyridyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin N-[(1S)-1-methyl-2-(3-methyl-2-p…

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) 2.77 8.15 -48.08 3 6 1 80 361.473 5 ↓
Hi High (pH 8-9.5) 2.77 6.79 -10.49 2 6 0 76 360.465 5 ↓
Mid Mid (pH 6-8) 2.77 8.55 -102.87 4 6 2 81 362.481 5 ↓

Activity (Go SEA)

Rings

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

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