UCSF

ZINC09350414

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

Popular Name: 5-(4-bromophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-pyrrolidine-2 5-(4-bromophenyl)-1-(3-dimethyla…

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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) 4.28 12.13 -76.77 1 6 0 74 501.421 9 ↓
Mid Mid (pH 6-8) 4.73 12.4 -50.17 2 6 1 71 502.429 8 ↓
Mid Mid (pH 6-8) 3.70 0.79 -46.75 1 6 1 68 502.429 9 ↓

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