UCSF

ZINC41634247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 Yes

Popular Name: 5-[(S)-[bis(2-hydroxyethyl)amino]-(4-chlorophenyl)methyl]-2-methyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-[bis(2-hydroxyethyl)amino…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.73 2.6 -35.04 3 7 0 98 382.873 7 ↓
Hi High (pH 8-9.5) 1.73 0.03 -6.97 3 7 0 94 382.873 7 ↓
Hi High (pH 8-9.5) 1.73 0.74 -45.41 2 7 -1 97 381.865 7 ↓
Lo Low (pH 4.5-6) 1.73 1.89 -37.91 4 7 1 95 383.881 7 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.