UCSF

ZINC06382439

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 No

Popular Name: 4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-di 4-[(2,5-dimethylphenyl)-hydroxy-…

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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) 2.96 7.11 -62.45 1 6 -1 90 394.447 7 ↓
Mid Mid (pH 6-8) 2.96 -1.16 -12.66 2 6 0 87 395.455 7 ↓
Mid Mid (pH 6-8) 2.37 -1.24 -20.44 1 6 0 83 395.455 7 ↓

Activity (Go SEA)

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