UCSF

ZINC33819075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 No

Popular Name: (2R)-2-[[4-[4-[(E)-3-(4-fluoro-2-methyl-phenyl)allyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro (2R)-2-[[4-[4-[(E)-3-(4-fluoro-2…

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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) 5.14 15.12 -94.63 2 9 2 91 509.582 8 ↓
Hi High (pH 8-9.5) 5.14 11.78 -22.61 0 9 0 89 507.566 8 ↓
Mid Mid (pH 6-8) 5.14 12.88 -42.22 1 9 1 90 508.574 8 ↓
Mid Mid (pH 6-8) 5.14 14.02 -66.09 1 9 1 90 508.574 8 ↓

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

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