UCSF

ZINC66123736

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 35 No

Popular Name: [(2S,3S,6R)-3-acetoxy-6-[(2E)-2-[(1S)-2-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)-1- [(2S,3S,6R)-3-acetoxy-6-[(2E)-2-…

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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) 3.54 13.39 -35.97 1 9 1 101 488.605 11 ↓
Mid Mid (pH 6-8) 3.54 13.02 -14.53 0 9 0 100 487.597 11 ↓

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

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