UCSF

ZINC22944858

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 33 No

Popular Name: 2-[[(2S)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoyl]amino]acetic 2-[[(2S)-2-[4,7,10-tris(carboxym…

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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) -5.37 1 -193.78 2 14 -3 204 472.475 10 ↓
Mid Mid (pH 6-8) -5.37 1.31 -138.04 3 14 -2 205 473.483 10 ↓
Mid Mid (pH 6-8) -5.37 0.25 -153.46 3 14 -2 205 473.483 10 ↓
Lo Low (pH 4.5-6) -5.37 2.5 -138.57 4 14 -1 206 474.491 10 ↓

Activity (Go SEA)

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