UCSF

ZINC37328631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 Yes

Popular Name: 2-[[(4-chlorophenyl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(4-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) 2.48 5.12 -13.42 2 4 0 58 305.79 4 ↓
Hi High (pH 8-9.5) 2.94 2.5 -47.93 1 4 -1 61 304.782 4 ↓
Mid Mid (pH 6-8) 2.49 6.49 -64.02 3 4 1 62 306.798 4 ↓

Activity (Go SEA)

Rings

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

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