UCSF

ZINC37328645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 2-[(3-pyridylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-pyridylmethylamino)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) 0.57 2.82 -15.2 2 5 0 71 272.333 4 ↓
Hi High (pH 8-9.5) 1.03 0.19 -49.88 1 5 -1 74 271.325 4 ↓
Mid Mid (pH 6-8) 0.57 4.18 -63.05 3 5 1 75 273.341 4 ↓

Activity (Go SEA)

Rings

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

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