UCSF

ZINC20235796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 Yes

Popular Name: 1-(2-hydroxyethyl)-N-[(1S)-1-phenylethyl]-5-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine 1-(2-hydroxyethyl)-N-[(1S)-1-phe…

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) 1.38 4.45 -15.22 2 7 0 83 405.502 7 ↓
Mid Mid (pH 6-8) 1.38 4.84 -40.46 3 7 1 85 406.51 7 ↓
Lo Low (pH 4.5-6) 1.38 6.73 -41.23 3 7 1 84 406.51 7 ↓

Activity (Go SEA)

Rings

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

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