UCSF

ZINC09186598

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 34 No

Popular Name: 5-(3-allyloxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-pyrrolidine 5-(3-allyloxyphenyl)-1-(2-dimeth…

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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) 3.88 11.66 -72.23 1 7 0 83 464.562 11 ↓
Hi High (pH 8-9.5) 3.88 9.13 -57.22 0 7 -1 82 463.554 11 ↓
Mid Mid (pH 6-8) 4.33 11.17 -43.02 2 7 1 81 465.57 10 ↓

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