UCSF

ZINC65500863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 No

Popular Name: 2-[[[(3R)-3,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl]methyl-methyl-amino]methyl]-6-methoxy-pheno 2-[[[(3R)-3,4,5,6,7,8-hexahydroc…

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) 3.49 5.68 -38.72 2 5 1 59 316.425 5 ↓
Hi High (pH 8-9.5) 3.49 3.37 -8.97 1 5 0 57 315.417 5 ↓

Activity (Go SEA)

Rings

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

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