UCSF

ZINC55421796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 20 Yes

Popular Name: 2-[[(3-chlorophenyl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(3-chlorophenyl)methylamino]…

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) 2.46 6.48 -62.29 3 4 1 62 306.798 4 ↓
Hi High (pH 8-9.5) 2.46 5.11 -13.54 2 4 0 58 305.79 4 ↓
Hi High (pH 8-9.5) 2.92 2.49 -48.27 1 4 -1 61 304.782 4 ↓
Mid Mid (pH 6-8) 2.92 3.83 -53.03 2 4 0 65 305.79 4 ↓

Activity (Go SEA)

Rings

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

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