UCSF

ZINC49347074

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 Yes

Popular Name: 5-oxo-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-1,2-dihydro-1,2,4-triazole-3-carboxamide 5-oxo-N-[(5R)-2-oxo-5,6,7,8-tetr…

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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) -1.57 -0.78 -17.55 4 8 0 124 275.268 2 ↓
Mid Mid (pH 6-8) -1.11 -3.3 -55.01 3 8 -1 127 274.26 2 ↓
Lo Low (pH 4.5-6) -1.11 -2.21 -33.25 4 8 0 128 275.268 2 ↓

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

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