UCSF

ZINC69969596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 Yes

Popular Name: (6R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6R)-N-[(4-methoxy-3,5-dimethyl-…

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) 1.17 5.99 -53.56 2 6 1 69 302.402 4 ↓
Mid Mid (pH 6-8) 1.17 4.83 -10.6 1 6 0 65 301.394 4 ↓
Mid Mid (pH 6-8) 1.17 5.35 -39.78 2 6 1 66 302.402 4 ↓
Lo Low (pH 4.5-6) 1.17 5.79 -78.67 3 6 2 67 303.41 4 ↓

Activity (Go SEA)

Rings

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

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