UCSF

ZINC65526601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 5-[(E)-hex-2-enyl]-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-[(E)-hex-2-enyl]-N-(2-pyridylm…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.15 5.39 -11.46 1 6 0 63 339.443 7 ↓
Mid Mid (pH 6-8) 2.15 7.64 -53.3 2 6 1 64 340.451 7 ↓
Lo Low (pH 4.5-6) 2.15 8.05 -90.44 3 6 2 65 341.459 7 ↓

Activity (Go SEA)

Rings

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

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