UCSF

ZINC62977221

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 37 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-be (2E)-2-[[4-(diethylamino)phenyl]…

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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) 5.49 12.31 -46.28 2 6 0 61 502.61 7 ↓
Hi High (pH 8-9.5) 5.49 12.19 -10.56 1 6 0 60 501.602 7 ↓
Hi High (pH 8-9.5) 5.49 12.78 -49.19 0 6 -1 63 500.594 7 ↓
Mid Mid (pH 6-8) 5.49 12.91 -65.2 1 6 0 64 501.602 7 ↓
Mid Mid (pH 6-8) 5.49 14.55 -79.56 3 6 0 63 503.618 7 ↓
Mid Mid (pH 6-8) 5.49 15.11 -61.56 2 6 0 65 502.61 7 ↓

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