UCSF

ZINC36157111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 Yes

Popular Name: 2-[[[(2R)-2-hydroxy-3-methoxy-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothio 2-[[[(2R)-2-hydroxy-3-methoxy-pr…

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) 1.42 5.04 -54.64 3 7 1 89 396.533 10 ↓
Hi High (pH 8-9.5) 1.42 2.73 -15.72 2 7 0 88 395.525 10 ↓
Hi High (pH 8-9.5) 1.88 2.5 -45.52 2 7 0 92 395.525 10 ↓

Activity (Go SEA)

Rings

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