UCSF

ZINC21548648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 26 Yes

Popular Name: 5-(4-chlorophenyl)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-3H-thieno[3,2-e]pyrimidin-4-one 5-(4-chlorophenyl)-2-[[(3S,5R)-3…

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) 4.68 11.67 -51.78 2 4 1 50 388.944 3 ↓
Mid Mid (pH 6-8) 5.14 10.62 -37.41 1 4 0 53 387.936 3 ↓

Activity (Go SEA)

Rings

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