UCSF

ZINC33824057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 Yes

Popular Name: 2'-Hydroxy-5'-(1-hydroxy-2-(1-methylcyclopropylamino)ethyl)methanesulfonanilide HCl; LS-90248; Methanesulfonanilide, 2'-hydroxy-5'-(1-hydroxy-2-(1-methylcyclopropylamino)ethyl)-, hydrochloride 2'-Hydroxy-5'-(1-hydroxy-2-(1-me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.66 -1.97 -51.54 4 6 0 105 300.38 6 ↓
Hi High (pH 8-9.5) 0.66 -3.42 -44.25 3 6 -1 101 299.372 6 ↓
Mid Mid (pH 6-8) 0.66 -2.02 -44.39 5 6 1 103 301.388 6 ↓

Activity (Go SEA)

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