UCSF

ZINC06090198

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 35 No

Popular Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine 5-(4-ethoxy-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) 2.62 8.4 -62.68 0 8 -1 101 473.505 9 ↓
Mid Mid (pH 6-8) 2.62 0.43 -16.75 1 8 0 98 474.513 9 ↓
Lo Low (pH 4.5-6) 2.04 0.31 -16.79 0 8 0 95 474.513 9 ↓
Lo Low (pH 4.5-6) 2.62 0.54 -45.04 2 8 1 99 475.521 9 ↓

Activity (Go SEA)

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