UCSF

ZINC33819089

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Substance Information

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

Popular Name: (2R)-2-[[4-[4-[(2-chloro-4-methoxy-phenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-i (2R)-2-[[4-[4-[(2-chloro-4-metho…

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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) 5.65 12.66 -42.18 1 10 1 105 530.001 9 ↓
Mid Mid (pH 6-8) 5.65 11.56 -23.1 0 10 0 104 528.993 9 ↓
Mid Mid (pH 6-8) 5.65 13.32 -91.4 2 10 2 106 531.009 9 ↓
Mid Mid (pH 6-8) 5.65 12.22 -59.13 1 10 1 105 530.001 9 ↓

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