UCSF

ZINC63958973

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 27 No

Popular Name: 3-[(2S)-2-methylsulfanyl-1,2-dihydroimidazol-3-yl]-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]benzamide 3-[(2S)-2-methylsulfanyl-1,2-dih…

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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) 1.93 5.63 -57.8 1 8 -1 105 378.441 5 ↓
Mid Mid (pH 6-8) 1.86 7.08 -16.87 2 8 0 99 379.449 5 ↓
Mid Mid (pH 6-8) 1.86 6.94 -57.63 1 8 -1 97 378.441 5 ↓

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

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