UCSF

ZINC38581549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 Yes

Popular Name: N-[(3R)-3H-1,2,4-triazol-3-yl]-2-[(6R,7S)-2,2,6-trimethyl-8-oxo-3,4,6,7-tetrahydropyrano[3,2-g]chrom N-[(3R)-3H-1,2,4-triazol-3-yl]-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.32 9.97 -22.76 2 8 0 109 370.409 2 ↓
Mid Mid (pH 6-8) 2.33 9.51 -52.96 1 8 -1 113 369.401 3 ↓

Activity (Go SEA)

Rings

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

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