UCSF

ZINC38596668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 No

Popular Name: 1-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-N-[(3R)-3H-1,2,4-triazol-3-yl]methanimine 1-[4-methoxy-3-[(3-methyl-4-nitr…

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) 3.29 6.73 -45.35 1 9 1 115 368.373 7 ↓
Hi High (pH 8-9.5) 3.29 5.85 -44.68 1 9 1 115 368.373 7 ↓
Mid Mid (pH 6-8) 3.29 5.66 -12.73 0 9 0 114 367.365 7 ↓

Activity (Go SEA)

Rings

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

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