UCSF

ZINC63958943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 28 Yes

Popular Name: 4-[(2S)-5-phenyl-2,3-dihydrooxazol-2-yl]-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]butanamide 4-[(2S)-5-phenyl-2,3-dihydrooxaz…

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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) 2.17 5.83 -18.15 2 8 0 105 376.42 7 ↓
Hi High (pH 8-9.5) 2.17 5.67 -62.59 1 8 -1 103 375.412 7 ↓
Hi High (pH 8-9.5) 2.36 4.56 -60.46 1 8 -1 111 375.412 7 ↓

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

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