UCSF

ZINC40163235

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 38 No

Popular Name: (2R)-4-amino-N-[(1S,2S,3R,4R,5R)-5-amino-4-[(2R,3S,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]o (2R)-4-amino-N-[(1S,2S,3R,4R,5R)…

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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) -5.83 -15.05 -420.09 21 16 5 305 557.666 10 ↓
Hi High (pH 8-9.5) -5.83 -15.82 -207.06 19 16 3 302 555.65 10 ↓
Hi High (pH 8-9.5) -5.83 -15.66 -178.97 19 16 3 302 555.65 10 ↓
Hi High (pH 8-9.5) -5.83 -16.01 -104.38 18 16 2 301 554.642 10 ↓
Mid Mid (pH 6-8) -5.83 -15.48 -300.67 20 16 4 304 556.658 10 ↓

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