UCSF

ZINC14141384

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Substance Information

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

Popular Name: (4R)-4-tridecyl-1,5,9,13,17-pentazacycloicosan-2-one (4R)-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 12.1 -313.78 9 6 4 96 485.846 12 ↓
Hi High (pH 8-9.5) 6.42 9.73 -99.05 7 6 2 86 483.83 12 ↓
Hi High (pH 8-9.5) 6.42 10.39 -86.39 7 6 2 86 483.83 12 ↓
Mid Mid (pH 6-8) 6.42 11.63 -199.2 8 6 3 91 484.838 12 ↓
Mid Mid (pH 6-8) 6.42 11.72 -193.32 8 6 3 91 484.838 12 ↓
Mid Mid (pH 6-8) 6.42 11.2 -191.21 8 6 3 91 484.838 12 ↓

Activity (Go SEA)

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