UCSF

ZINC33819077

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

Popular Name: (2R)-2-[[4-[4-[(E)-3-(3-chlorophenyl)allyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidaz (2R)-2-[[4-[4-[(E)-3-(3-chloroph…

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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) 5.43 14.96 -91.78 2 9 2 91 512.01 8 ↓
Hi High (pH 8-9.5) 5.43 11.62 -21.48 0 9 0 89 509.994 8 ↓
Mid Mid (pH 6-8) 5.43 12.72 -40.9 1 9 1 90 511.002 8 ↓
Mid Mid (pH 6-8) 5.43 13.86 -64.17 1 9 1 90 511.002 8 ↓

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