UCSF

ZINC16713768

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5S)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5 (5S)-3-hydroxy-5-(4-hydroxy-3-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) 3.53 7.93 -45.56 1 8 -1 108 482.553 11 ↓
Mid Mid (pH 6-8) 3.97 7.53 -18.23 2 8 0 106 483.561 10 ↓
Mid Mid (pH 6-8) 2.94 7.72 -15.69 1 8 0 102 483.561 11 ↓

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