UCSF

ZINC09236080

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-di 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) 4.75 11.69 -59.39 0 6 -1 83 467.545 9 ↓
Mid Mid (pH 6-8) 5.20 10.96 -22.41 1 6 0 80 468.553 8 ↓
Lo Low (pH 4.5-6) 5.20 11.24 -45.55 2 6 1 81 469.561 8 ↓

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