UCSF

ZINC06089800

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 34 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)pyrrolidine 4-[(4-ethoxyphenyl)-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) 2.31 6.38 -62.33 1 8 -1 112 459.478 8 ↓
Mid Mid (pH 6-8) 2.31 -1.92 -14.92 2 8 0 109 460.486 8 ↓
Lo Low (pH 4.5-6) 1.73 -2.06 -24.47 1 8 0 106 460.486 8 ↓
Lo Low (pH 4.5-6) 2.31 -1.8 -45.84 3 8 1 110 461.494 8 ↓

Activity (Go SEA)

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