UCSF

ZINC09008805

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3- 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 4.95 12.04 -60.07 0 6 -1 83 481.572 9 ↓
Mid Mid (pH 6-8) 5.39 11.64 -17.95 1 6 0 80 482.58 8 ↓
Lo Low (pH 4.5-6) 5.39 11.95 -47.25 2 6 1 81 483.588 8 ↓

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