UCSF

ZINC13535208

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isopropoxy-3-methyl-benzo (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 3.67 9.92 -73.67 2 8 0 104 496.604 11 ↓
Hi High (pH 8-9.5) 3.67 7.58 -60.51 1 8 -1 102 495.596 11 ↓
Mid Mid (pH 6-8) 4.12 8.7 -60.91 3 8 1 101 497.612 10 ↓

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