UCSF

ZINC64539717

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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-[(2S,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 4.21 -46.15 3 8 1 102 400.466 6 ↓
Hi High (pH 8-9.5) 3.31 4.96 -35.84 3 8 1 102 400.466 6 ↓
Mid Mid (pH 6-8) 3.31 5.43 -91.13 4 8 2 103 401.474 6 ↓
Lo Low (pH 4.5-6) 3.31 5.85 -159.27 5 8 3 105 402.482 6 ↓
Lo Low (pH 4.5-6) 3.31 7.05 -321.36 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.