UCSF

ZINC19787441

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-[(E)-3-phenylprop-2-enoyl]-5 (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 2.87 9.59 -48.1 2 7 0 94 450.535 9 ↓
Ref Reference (pH 7) 2.87 9.9 -73.57 2 7 0 94 450.535 10 ↓
Hi High (pH 8-9.5) 2.87 7.95 -60.9 1 7 -1 93 449.527 10 ↓
Hi High (pH 8-9.5) 2.87 8.6 -107.37 0 7 -2 96 448.519 9 ↓
Hi High (pH 8-9.5) 2.87 7.81 -43.08 1 7 -1 93 449.527 9 ↓
Hi High (pH 8-9.5) 2.87 10.91 -99.07 1 7 -1 97 449.527 9 ↓
Lo Low (pH 4.5-6) 2.87 9.3 -55.54 3 7 1 92 451.543 10 ↓

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