UCSF

ZINC45245381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 33 No

Popular Name: 1-(2-pyridyl)-N-[[4-(4,7,10-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-4-ylmethyl)phenyl]methy 1-(2-pyridyl)-N-[[4-(4,7,10-tria…

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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) 2.22 8.72 -97.77 5 5 2 61 445.655 6 ↓
Hi High (pH 8-9.5) 2.22 7.35 -50.83 4 5 1 57 444.647 6 ↓
Mid Mid (pH 6-8) 2.22 10.48 -176.31 6 5 3 63 446.663 6 ↓
Mid Mid (pH 6-8) 2.22 9.05 -94.64 5 5 2 61 445.655 6 ↓

Activity (Go SEA)

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