UCSF

ZINC65507263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 No

Popular Name: (7aR)-1-methyl-N-[[3-(1H-tetrazol-5-yl)phenyl]methyl]-5,7a-dihydroimidazo[2,1-e]pyrazole-7-carboxami (7aR)-1-methyl-N-[[3-(1H-tetrazo…

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) -4.25 2.1 -64.15 2 9 0 100 324.348 4 ↓
Hi High (pH 8-9.5) -0.31 2.92 -47.88 2 9 -1 100 323.34 4 ↓
Lo Low (pH 4.5-6) -4.25 2.1 -40.67 3 9 1 102 325.356 4 ↓

Activity (Go SEA)

Rings

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

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