UCSF

ZINC66136360

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 39 No

Popular Name: (2R,3R,4E)-4-[(1R)-2-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)-1-methyl-ethoxy]imino (2R,3R,4E)-4-[(1R)-2-(2,3-dimeth…

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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) 5.33 11.09 -28.11 2 8 1 87 532.661 7 ↓
Hi High (pH 8-9.5) 5.33 11.35 -64.05 0 8 -1 88 530.645 7 ↓
Mid Mid (pH 6-8) 5.33 10.73 -12.26 1 8 0 86 531.653 7 ↓

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

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