UCSF

ZINC14583405

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 37 No

Popular Name: (4S,5S,6S)-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy (4S,5S,6S)-4-(9H-pyrido[3,4-b]in…

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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) 1.02 -0.69 -60.47 5 11 -1 177 511.507 7 ↓
Lo Low (pH 4.5-6) 1.02 -0.46 -48.52 6 11 0 179 512.515 7 ↓
Lo Low (pH 4.5-6) 1.02 -1.39 -51.68 7 11 1 176 513.523 7 ↓

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