UCSF

ZINC65493267

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

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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 2.36 -30.83 2 6 1 61 251.358 6 ↓
Hi High (pH 8-9.5) 0.79 1.97 -7.71 1 6 0 60 250.35 6 ↓
Mid Mid (pH 6-8) 0.79 4.03 -39.88 2 6 1 61 251.358 6 ↓
Mid Mid (pH 6-8) 0.79 4.49 -94.7 3 6 2 62 252.366 6 ↓
Lo Low (pH 4.5-6) 0.79 2.37 -86.32 3 6 2 62 252.366 6 ↓

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

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