UCSF

ZINC69779102

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]methyl]-3H-imidazo[4,5-b]pyridine 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.53 8.68 -43.67 1 7 0 75 325.42 4 ↓
Hi High (pH 8-9.5) 0.53 6.86 -16.57 1 7 0 76 325.42 4 ↓
Mid Mid (pH 6-8) 0.53 9.06 -56.67 2 7 1 77 326.428 4 ↓

Activity (Go SEA)

Rings

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

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