UCSF

ZINC53654629

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 29 Yes

Popular Name: (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carbo (2S)-N-[2-(1H-imidazol-5-yl)ethy…

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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) 3.33 7 -45.21 4 6 1 80 403.384 6 ↓
Mid Mid (pH 6-8) 3.33 6.51 -16.97 3 6 0 79 402.376 6 ↓

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

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