UCSF

ZINC09068544

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-ethoxy-3-methoxy-phenyl)-1-(3-methoxypropyl)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) 3.33 8.94 -56.82 0 7 -1 88 458.918 10 ↓
Mid Mid (pH 6-8) 2.75 9.23 -13.51 0 7 0 82 459.926 10 ↓
Mid Mid (pH 6-8) 3.78 8.6 -20.37 1 7 0 85 459.926 9 ↓

Activity (Go SEA)

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