UCSF

ZINC09349699

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Substance Information

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

Popular Name: 5-(4-bromophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-pyrrolidine-2,3 5-(4-bromophenyl)-1-(2-dimethyla…

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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) 4.40 11.78 -69.42 1 6 0 74 501.421 9 ↓
Hi High (pH 8-9.5) 4.40 9.24 -56.26 0 6 -1 73 500.413 9 ↓
Mid Mid (pH 6-8) 4.84 12.49 -47.04 2 6 1 71 502.429 8 ↓

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