UCSF

ZINC51480521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 Yes

Popular Name: N-methyl-1-[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(4R)-4-methyl-6,7…

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) 2.60 7.2 -38.52 2 3 1 33 274.413 3 ↓
Mid Mid (pH 6-8) 2.60 6.17 -27.82 2 3 1 29 274.413 3 ↓
Lo Low (pH 4.5-6) 2.60 7.62 -104.32 3 3 2 34 275.421 3 ↓

Activity (Go SEA)

Rings

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

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