UCSF

ZINC67743436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 Yes

Popular Name: 2-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanol 2-[3-(1-naphthyl)-1,4,6,7-tetrah…

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) 2.53 6.43 -42.66 3 4 1 53 294.378 3 ↓
Hi High (pH 8-9.5) 2.53 3.9 -8.73 2 4 0 52 293.37 3 ↓

Activity (Go SEA)

Rings

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

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