UCSF

ZINC49917618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 25 No

Popular Name: (2S,7S)-7-amino-2-[(3R,6S)-2,6-dihydroxy-3-methoxy-6-methyl-cyclohexene-1-carbonyl]-2-methyl-1,3-oxa (2S,7S)-7-amino-2-[(3R,6S)-2,6-d…

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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) -1.56 -0.8 -32.41 4 9 -1 151 355.367 2 ↓
Mid Mid (pH 6-8) -1.56 -1.25 -37.96 5 9 0 153 356.375 3 ↓
Mid Mid (pH 6-8) -1.56 -1.47 -44.84 5 9 0 153 356.375 2 ↓
Lo Low (pH 4.5-6) -1.56 -2.16 -54.98 6 9 1 150 357.383 3 ↓

Activity (Go SEA)

Rings

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

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