UCSF

ZINC44018061

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 37 No

Popular Name: (2S,3S,4R,5R,6S)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dih (2S,3S,4R,5R,6S)-2-[(1R,2S,3S,4S…

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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) -5.82 -16.65 -266.84 21 16 4 310 544.647 9 ↓
Hi High (pH 8-9.5) -5.82 -15.55 -162.85 20 16 3 308 543.639 9 ↓
Hi High (pH 8-9.5) -5.82 -15.74 -173.5 20 16 3 308 543.639 9 ↓
Mid Mid (pH 6-8) -5.82 -14.88 -391.7 22 16 5 312 545.655 9 ↓
Lo Low (pH 4.5-6) -5.82 -14.33 -565.11 23 16 6 313 546.663 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.