UCSF

ZINC08996530

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(3-pyridylmethyl)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) 2.89 8.93 -60.4 0 8 -1 101 485.516 10 ↓
Mid Mid (pH 6-8) 3.33 8.65 -18.97 1 8 0 98 486.524 9 ↓
Lo Low (pH 4.5-6) 3.33 8.93 -52.56 2 8 1 99 487.532 9 ↓

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