UCSF

ZINC65527998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 29 No

Popular Name: 2-[(7aR)-5,6,7,7a-tetrahydro-4H-indazol-3-yl]-N-[[2-(2-imidazol-1-ylethoxy)-3-methoxy-phenyl]methyl] 2-[(7aR)-5,6,7,7a-tetrahydro-4H-…

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) 2.97 9.37 -54.67 2 7 1 78 396.515 10 ↓
Hi High (pH 8-9.5) 2.97 7.94 -12.73 1 7 0 73 395.507 10 ↓
Mid Mid (pH 6-8) 2.97 9.88 -101.27 3 7 2 79 397.523 10 ↓

Activity (Go SEA)

Rings

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

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