UCSF

ZINC67541173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: 2-[(2S)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholin-2-yl]ethanamine 2-[(2S)-4-(2-phenyl-5,6,7,8-tetr…

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) 0.88 5.03 -80.45 5 6 2 79 341.459 4 ↓
Mid Mid (pH 6-8) 0.88 6.09 -100.44 5 6 2 83 341.459 4 ↓
Mid Mid (pH 6-8) 0.88 4.73 -47.03 4 6 1 78 340.451 4 ↓

Activity (Go SEA)

Rings

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

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