UCSF

ZINC38577703

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Popular Name: (4R,7aS)-6-amino-4-(4-benzyloxy-3-ethoxy-phenyl)-3-methyl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbon (4R,7aS)-6-amino-4-(4-benzyloxy-…

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) 3.86 4.03 -11.84 2 7 0 102 402.454 6 ↓
Lo Low (pH 4.5-6) 3.86 4.41 -53.9 3 7 1 104 403.462 6 ↓

Activity (Go SEA)

Rings

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

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