UCSF

ZINC65493264

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 18 No

Popular Name: N-methyl-N-[[(4R)-4-methyl-4H-imidazol-5-yl]methyl]-1-[(3R)-4-propyl-3,5-dihydro-1,2,4-triazol-3-yl] N-methyl-N-[[(4R)-4-methyl-4H-im…

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) 0.79 1.82 -32.61 2 6 1 61 251.358 6 ↓
Hi High (pH 8-9.5) 0.79 1.43 -6.81 1 6 0 60 250.35 6 ↓
Mid Mid (pH 6-8) 0.79 2.8 -39.54 2 6 1 61 251.358 6 ↓
Mid Mid (pH 6-8) 0.79 3.26 -97.22 3 6 2 62 252.366 6 ↓
Lo Low (pH 4.5-6) 0.79 4.3 -88.61 3 6 2 62 252.366 6 ↓

Activity (Go SEA)

Rings

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

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