UCSF

ZINC36216420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Popular Name: 3-[(2R,6R)-4-(2-methoxyethylsulfonyl)-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-propan-1-amine 3-[(2R,6R)-4-(2-methoxyethylsulf…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.55 2.61 -43.21 1 6 1 54 322.495 8 ↓
Mid Mid (pH 6-8) 0.55 4.65 -111.86 2 6 2 55 323.503 8 ↓
Mid Mid (pH 6-8) 0.55 2.18 -44.51 1 6 1 54 322.495 8 ↓

Activity (Go SEA)

Rings

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