UCSF

ZINC63944163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

Popular Name: 1-[[3-[[(2S)-2-methyl-1,2-dihydroimidazol-3-yl]methyl]phenyl]methyl]-3-(4H-pyrazol-3-ylmethyl)urea 1-[[3-[[(2S)-2-methyl-1,2-dihydr…

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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) 0.91 0.87 -15.65 2 7 0 81 326.404 6 ↓
Lo Low (pH 4.5-6) 0.91 1.86 -47.58 3 7 1 83 327.412 6 ↓

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

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