UCSF

ZINC36125870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 Yes

Popular Name: (11bR)-2-[(5-methyl-2-thienyl)sulfonyl]-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (11bR)-2-[(5-methyl-2-thienyl)su…

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) 2.89 5.63 -9.91 0 4 0 41 348.493 2 ↓
Mid Mid (pH 6-8) 2.89 7.77 -45.15 1 4 1 42 349.501 2 ↓

Activity (Go SEA)

Rings

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