UCSF

ZINC09359473

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(3-ethoxy-4-hydroxy-phenyl)-1-(3-pyridylmethyl)pyrrolidin 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 2.96 7.84 -64.47 1 8 -1 112 485.516 10 ↓
Mid Mid (pH 6-8) 3.40 8.11 -24.48 2 8 0 109 486.524 9 ↓
Lo Low (pH 4.5-6) 3.40 8.39 -52.24 3 8 1 110 487.532 9 ↓

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