UCSF

ZINC09359101

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)pyrrolidine- 4-[(4-butoxyphenyl)-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) 3.82 11.66 -80.67 1 8 0 93 496.604 13 ↓
Mid Mid (pH 6-8) 3.24 1.78 -49.69 1 8 1 86 497.612 13 ↓
Mid Mid (pH 6-8) 4.26 11.61 -52.37 2 8 1 90 497.612 12 ↓

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