UCSF

ZINC41635391

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 Yes

Popular Name: 2-methyl-5-[(R)-(5-methyl-2-furyl)-morpholino-methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-methyl-5-[(R)-(5-methyl-2-fury…

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) 1.64 3.2 -48.84 0 7 -1 79 333.393 3 ↓
Mid Mid (pH 6-8) 1.64 2.49 -8.29 1 7 0 76 334.401 3 ↓
Lo Low (pH 4.5-6) 1.64 4.75 -35.68 2 7 1 77 335.409 3 ↓
Lo Low (pH 4.5-6) 1.64 5.45 -35.71 1 7 0 80 334.401 3 ↓

Activity (Go SEA)

Rings

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

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