UCSF

ZINC43532031

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 32 Yes

Popular Name: (2R,3R,4R,5R)-2-[(1S,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydrop (2R,3R,4R,5R)-2-[(1S,2S,3S,4S,6R…

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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) -4.76 -8.95 -412.9 17 12 5 225 468.616 6 ↓
Hi High (pH 8-9.5) -4.76 -10.64 -95.77 14 12 2 217 465.592 6 ↓
Hi High (pH 8-9.5) -4.76 -11.23 -41.83 13 12 1 215 464.584 6 ↓
Hi High (pH 8-9.5) -4.76 -10.31 -186.39 15 12 3 219 466.6 6 ↓
Mid Mid (pH 6-8) -4.76 -9.07 -257.62 16 12 4 223 467.608 6 ↓

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