UCSF

ZINC09350712

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 34 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(2-methoxyphenyl)-pyrrolidine- 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 3.87 11.93 -78.07 1 7 0 83 466.578 11 ↓
Mid Mid (pH 6-8) 4.31 11.74 -46.2 2 7 1 81 467.586 10 ↓
Mid Mid (pH 6-8) 3.28 2.11 -46.27 1 7 1 77 467.586 11 ↓

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