UCSF

ZINC44018329

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 42 No

Popular Name: 2-(4-benzylpiperazin-1-yl)-N-[2-chloro-5-hydroxy-4-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadi 2-(4-benzylpiperazin-1-yl)-N-[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) 5.20 8.95 -47.16 3 9 1 105 603.021 9 ↓
Mid Mid (pH 6-8) 5.20 9 -44.52 3 9 1 105 603.021 9 ↓
Mid Mid (pH 6-8) 5.20 6.73 -12.22 2 9 0 104 602.013 9 ↓

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

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