UCSF

ZINC08905036

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 No

Popular Name: 5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine 5-(4-chlorophenyl)-4-[hydroxy-(4…

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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) 3.49 8.58 -61.81 0 6 -1 79 426.876 6 ↓
Mid Mid (pH 6-8) 2.90 8.8 -12.89 0 6 0 73 427.884 6 ↓
Mid Mid (pH 6-8) 3.93 8.24 -14.88 1 6 0 76 427.884 5 ↓

Activity (Go SEA)

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