UCSF

ZINC09271332

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-fluorophenyl)-1-(6-methoxybenzothiazol-2-yl)-pyrrolidine 4-[(4-chlorophenyl)-hydroxy-meth…

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Download: MOL2 SDF SMILES Flexibase

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) 5.51 11.43 -51.22 0 6 -1 83 493.923 5 ↓
Mid Mid (pH 6-8) 5.95 11.41 -19.19 1 6 0 80 494.931 4 ↓
Mid Mid (pH 6-8) 4.92 -0.4 -11.76 0 6 0 76 494.931 5 ↓

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