UCSF

ZINC40812574

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 27 Yes

Popular Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]o (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) -5.29 -9.98 -305.37 16 11 4 219 395.501 7 ↓
Hi High (pH 8-9.5) -5.29 -11.48 -111.36 14 11 2 216 393.485 7 ↓
Hi High (pH 8-9.5) -5.29 -10.29 -219.68 15 11 3 217 394.493 7 ↓
Hi High (pH 8-9.5) -5.29 -11.16 -175.51 15 11 3 217 394.493 7 ↓

Activity (Go SEA)

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