UCSF

ZINC49808114

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 29 Yes

Popular Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl) (2S)-4-amino-N-[(1R,2S,3R,4R,5S)…

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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) -5.54 -16.74 -184.47 16 13 3 252 427.475 7 ↓
Hi High (pH 8-9.5) -5.54 -18.14 -61 14 13 1 249 425.459 7 ↓
Mid Mid (pH 6-8) -5.54 -17.12 -117.52 15 13 2 250 426.467 7 ↓

Activity (Go SEA)

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