UCSF

ZINC44660205

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 Yes

Popular Name: (3R,6S)-3,6-dimethyl-1-[(1R,2R)-2-phenylcyclopropyl]-1,5-diazocane (3R,6S)-3,6-dimethyl-1-[(1R,2R)-…

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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) 3.04 8.9 -33.03 2 2 1 20 259.417 2 ↓
Mid Mid (pH 6-8) 3.04 9.64 -97.66 3 2 2 21 260.425 2 ↓

Activity (Go SEA)

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