UCSF

ZINC34603606

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 Yes

Popular Name: 7-[(4S)-4-amino-4-methyl-6-azaspiro[2.4]heptan-6-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-meth 7-[(4S)-4-amino-4-methyl-6-azasp…

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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) 0.56 10.88 -115.93 3 6 0 93 403.429 3 ↓
Mid Mid (pH 6-8) 0.56 8.87 -68.45 4 6 1 90 404.437 3 ↓
Lo Low (pH 4.5-6) -2.18 7.76 -84.58 4 6 1 96 404.437 2 ↓

Activity (Go SEA)

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