UCSF

ZINC49917593

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 47 No

Popular Name: (2S)-2-(benzofuran-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-[(2R)-2-hydroxy-2-(6-methoxy-4-qu (2S)-2-(benzofuran-2-yl)-2-[4-(4…

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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) 4.85 13.46 -112.48 4 9 2 97 639.772 9 ↓
Hi High (pH 8-9.5) 4.85 9.17 -18.35 2 9 0 94 637.756 9 ↓
Mid Mid (pH 6-8) 4.85 11.4 -56.21 3 9 1 96 638.764 9 ↓

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

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