UCSF

ZINC39490515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 26 No

Popular Name: (1S,4aS,4bS,9aR)-1-(o-tolyl)-2-[[(3S)-3H-pyrazol-3-yl]methyl]-1,3,4,4a,4b,9a-hexahydropyrido[3,4-b]i (1S,4aS,4bS,9aR)-1-(o-tolyl)-2-[…

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) 3.30 7.28 -34.69 1 4 1 42 345.47 3 ↓

Activity (Go SEA)

Rings

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

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