UCSF

ZINC14141386

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 34 No

Popular Name: (4S)-4-tridecyl-1,5,9,13,17-pentazacycloicosan-2-one (4S)-4-tridecyl-1,5,9,13,17-pent…

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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) 6.42 11.13 -316.31 9 6 4 96 485.846 12 ↓
Hi High (pH 8-9.5) 6.42 9.63 -99.92 7 6 2 86 483.83 12 ↓
Hi High (pH 8-9.5) 6.42 10.04 -86.61 7 6 2 86 483.83 12 ↓
Mid Mid (pH 6-8) 6.42 11.46 -191.42 8 6 3 91 484.838 12 ↓
Mid Mid (pH 6-8) 6.42 10.64 -181.79 8 6 3 91 484.838 12 ↓
Mid Mid (pH 6-8) 6.42 10.84 -204.31 8 6 3 91 484.838 12 ↓

Activity (Go SEA)

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