UCSF

ZINC06239006

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 30 No

Popular Name: 5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine 5-(4-hydroxy-3-methoxy-phenyl)-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) 1.73 4.13 -68.45 1 8 -1 108 412.418 8 ↓
Mid Mid (pH 6-8) 2.18 -1.24 -24.86 2 8 0 105 413.426 7 ↓
Mid Mid (pH 6-8) 1.15 -1.69 -16.51 1 8 0 102 413.426 8 ↓

Activity (Go SEA)

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