UCSF

ZINC72136390

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2012 36 No

Popular Name: (2S,3'R,3aR,4R,4'S,5'R,6R,6'R,7S,7aS)-4-[(1S,2R,3S,5R,6S)-3-amino-2,6-dihydroxy-5-(methylamino)cyclo (2S,3'R,3aR,4R,4'S,5'R,6R,6'R,7S…

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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) -5.41 -19.76 -177.66 16 16 3 280 530.548 6 ↓
Hi High (pH 8-9.5) -5.41 -21.88 -19.44 13 16 0 272 527.524 6 ↓
Hi High (pH 8-9.5) -5.41 -20.73 -53.22 14 16 1 277 528.532 6 ↓
Hi High (pH 8-9.5) -5.41 -21.63 -61.13 14 16 1 274 528.532 6 ↓
Mid Mid (pH 6-8) -5.41 -20.41 -126.06 15 16 2 278 529.54 6 ↓

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