UCSF

ZINC69457848

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 No

Popular Name: (5S)-N-(2-imidazol-1-ylethyl)-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide (5S)-N-(2-imidazol-1-ylethyl)-5-…

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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) 0.02 6.47 -43.57 3 8 1 93 327.368 5 ↓
Mid Mid (pH 6-8) 0.02 5.95 -15.42 2 8 0 92 326.36 5 ↓

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

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