UCSF

ZINC64539720

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 30 No

Popular Name: N-[2-[(4R)-4H-imidazol-4-yl]ethyl]-2-[(2R,5R)-5-(m-tolyl)-2,5-dihydro-1,3,4-oxadiazol-2-yl]quinazoli N-[2-[(4R)-4H-imidazol-4-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) 3.31 4.19 -45.39 3 8 1 102 400.466 6 ↓
Hi High (pH 8-9.5) 3.31 4.91 -33.85 3 8 1 102 400.466 6 ↓
Mid Mid (pH 6-8) 3.31 5.37 -89.1 4 8 2 103 401.474 6 ↓
Lo Low (pH 4.5-6) 3.31 5.95 -158.67 5 8 3 105 402.482 6 ↓
Lo Low (pH 4.5-6) 3.31 7.08 -318.38 6 8 4 106 403.49 6 ↓

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

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