UCSF

ZINC34603341

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 Yes

Popular Name: 7-[(3R,4R)-3-amino-4-cyclopropyl-3-methyl-pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]- 7-[(3R,4R)-3-amino-4-cyclopropyl…

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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) 1.35 11.59 -114.45 3 6 0 93 417.456 4 ↓
Mid Mid (pH 6-8) 1.35 9.57 -67.19 4 6 1 90 418.464 4 ↓
Lo Low (pH 4.5-6) -1.39 8.59 -96.52 4 6 1 96 418.464 3 ↓

Activity (Go SEA)

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