UCSF

ZINC27200740

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 40 Yes

Popular Name: 1-[[3-(1,5,9,13-tetrazacyclohexadec-1-ylmethyl)phenyl]methyl]-1,5,9,13-tetrazacyclohexadecane 1-[[3-(1,5,9,13-tetrazacyclohexa…

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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) 0.02 7.18 -489.2 11 8 5 102 563.944 4 ↓
Hi High (pH 8-9.5) 0.02 5.76 -326.24 10 8 4 97 562.936 4 ↓
Hi High (pH 8-9.5) 0.02 5.76 -345.31 10 8 4 97 562.936 4 ↓
Mid Mid (pH 6-8) 0.02 8.61 -686.51 12 8 6 106 564.952 4 ↓
Lo Low (pH 4.5-6) 0.02 10.55 -901.43 13 8 7 107 565.96 4 ↓

Activity (Go SEA)

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