UCSF

ZINC08915071

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-1-(5-methylisoxazol-3-yl)-5-(4-nitrophenyl)-pyrrolidine-2,3-d 4-[(4-fluorophenyl)-hydroxy-meth…

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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) 3.03 10.77 -48.21 0 9 -1 132 422.348 5 ↓
Mid Mid (pH 6-8) 2.44 11.03 -18.49 0 9 0 126 423.356 5 ↓
Mid Mid (pH 6-8) 3.47 10.09 -28.91 1 9 0 129 423.356 4 ↓

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